loxoprofen profile

loxoprofen: RN given refers to parent cpd without isomeric designation; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

loxoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	3965
CHEMBL ID	19299
CHEBI ID	76172
SCHEMBL ID	24423
MeSH ID	M0120978

Synonym
AC-15776
EU-0100677
loxoprofen, solid
loxoprofeno [spanish]
loxoprofen
loxoprofenum [latin]
(+-)-p-((2-oxocyclopentyl)methyl)hydratropic acid
loxoprofene [french]
loxoprofen [inn]
LOPAC0_000677
NCGC00094037-01
NCGC00094037-02
NCGC00015594-02
koloxo
L 0664
NCGC00015594-04
2-[4-(2-oxo-cyclopentylmethyl)-phenyl]-propionic acid
bdbm50140320
CHEMBL19299 ,
loxoprofen acid
chebi:76172 ,
loxoprofen (inn)
D08149
68767-14-6
2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
A836244
HMS3262G15
loxoprofeno
loxoprofenum
unii-3583h0gzap
3583h0gzap ,
loxoprofene
cas-68767-14-6
tox21_110178
dtxcid9025164
dtxsid1045164 ,
CCG-204763
S4682
NCGC00015594-03
FT-0641207
LP00677
AKOS015906359
2-(4-((2-oxocyclopentan-1-yl)methyl)phenyl)propionic acid
loxoprofen [who-dd]
loxoprofen [mi]
(+/-)-p-((2-oxocyclopentyl)methyl)hydratropic acid
HY-B0578
2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoic acid
SCHEMBL24423
NCGC00263577-01
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
(+-)-((2-oxocyclopentyl)methyl)hydratropic acid
tox21_110178_1
2-[4-(2-oxocyclopentan-1-ylmethyl)phenyl]-propionic acid
2-[4-(2-oxocyclopentan-1-ylmethyl)phenyl]propionic acid
tox21_500677
NCGC00261362-01
Q-300011
Q-201324
benzeneacetic acid, .alpha.-methyl-4-[(2-oxocyclopentyl)methyl]-
alpha-methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid
mfcd00864331
DB09212
GS-3193
AC-8108
sr-01000075955
SR-01000075955-1
Q2759348
SY113439
2-[4-[(2-oxocyclopentyl)methyl]phenyl]propionic acid
L0244
BCP10971
cs-600; cs600; cs 600
SDCCGSBI-0050656.P002
HMS3885N16
NCGC00015594-08
2-(4-((2-oxocyclopentyl)methyl)-phenyl)propanoic acid
EN300-249698

Excerpt	Reference
"Loxoprofen tromethamine is a novel structural compound related to loxoprofen. "	( Gao, Q; Liu, J; Lu, F; Qiao, H; Yue, P; Zhao, X, 2023)
"Loxoprofen is a non-steroidal anti-inflammatory drug of the 2-arylpropionic acid type, which has used to treat musculoskeletal disorders in the horse racing industry. "	( Ji, M; Jung, S; Kim, H; Kim, M; Kim, Y; Kwak, J; Lee, G; Lee, HS; Lee, W; Oh, S; Paik, MJ; Park, HJ; Seo, C; Sin, E; Yu, J, 2018)
"Loxoprofen is an anti-inflammatory drug that requires bioactivation into the trans-OH metabolite to exert pharmacological activity. "	( Atilla-Gokcumen, GE; Blanco, JG; Del Solar, V; Li, N; Quiñones-Lombraña, A, 2018)
"Loxoprofen (LOX) is a nonsteroidal anti-inflammatory drug (NSAID). "	( Chen, Z; Hu, S; Li, Z; Lin, J; Shao, Z; Shi, Y; Wang, G; Xiao, W; Zhang, Z; Zhao, D; Zheng, Y, 2019)
"Loxoprofen is a prodrug that exerts strong analgesic and anti-inflammatory effects through its active trans-alcohol metabolite, which is produced in the liver by carbonyl reductase. "	( Cho, P; Jeong, TC; Lee, ES; Lee, S; Lee, T; Paudel, S; Shrestha, A; Shrestha, R, 2019)
"1. Loxoprofen (LX), is a prodrug of the pharmacologically active form, trans-alcohol metabolite (trans-OH form), which shows very potent analgesic effect. "	( Izumi, T; Kazui, M; Kurihara, A; Sawamura, R, 2014)
"Loxoprofen (LOXO) is a non-steroidal anti-inflammatory drug. "	( Fang, L; Hui, M; Quan, P; Yang, Y, 2016)
"Loxoprofen is a prodrug nonselective NSAID developed to protect upper gastrointestinal tract."	( Fujimori, S; Hanada, R; Hayashida, M; Ikushima, I; Sakamoto, C; Sakurai, T, 2016)
"Loxoprofen is a nonsteroidal anti-inflammatory drug used in the treatment of many diseases. "	( Arano, N; Jo, H; Kato, M; Kuriyama, S; Muraki, K; Nagashima, O; Sasaki, S; Sekimoto, Y; Suina, K; Takahashi, K; Tominaga, S; Yoshioka, Y, 2016)
"Loxoprofen sodium (LOX) is a recently developed novel propionic acid derivative. "	( Abd El-Sattar, OI; Eissa, MS, 2017)
"Loxoprofen sodium is an effective treatment for some patients with refractory nocturia."	( Kohri, K; Kojima, Y; Okada, S; Sasaki, S; Watanabe, H; Yanai, Y, 2008)

Role	Description
non-steroidal anti-inflammatory drug	An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
non-narcotic analgesic	A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
antipyretic	A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever.
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor	A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
prodrug	A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
monocarboxylic acid	An oxoacid containing a single carboxy group.
cyclopentanones	Any alicyclic ketone that consists of a cyclopentane skeleton substituted by at least one oxo group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
endonuclease IV	Escherichia coli	Potency	17.7828	0.7079	12.4324	31.6228	AID1708
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	3.0064	0.1000	20.8793	79.4328	AID488772; AID588453; AID588456
GLS protein	Homo sapiens (human)	Potency	5.6234	0.3548	7.9355	39.8107	AID624146
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	4.3649	0.0123	7.9835	43.2770	AID1645841
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	15.0890	0.0002	29.3054	16,493.5996	AID743075
arylsulfatase A	Homo sapiens (human)	Potency	8.4921	1.0691	13.9551	37.9330	AID720538
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	22.3872	0.0355	20.9770	89.1251	AID504332
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	0.0008	0.0016	28.0151	77.1139	AID1259385
chromobox protein homolog 1	Homo sapiens (human)	Potency	39.8107	0.0060	26.1688	89.1251	AID488953
heat shock protein beta-1	Homo sapiens (human)	Potency	1.4959	0.0420	27.3789	61.6448	AID743210
huntingtin isoform 2	Homo sapiens (human)	Potency	15.8489	0.0006	18.4198	1,122.0200	AID2673
histone-lysine N-methyltransferase 2A isoform 2 precursor	Homo sapiens (human)	Potency	79.4328	0.0103	23.8567	63.0957	AID2662
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.7569	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Prostaglandin G/H synthase 1	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0002	1.5574	10.0000	AID161659
Prostaglandin G/H synthase 2	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0001	0.9950	10.0000	AID162650
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
prostaglandin biosynthetic process	Prostaglandin G/H synthase 1	Homo sapiens (human)
response to oxidative stress	Prostaglandin G/H synthase 1	Homo sapiens (human)
regulation of blood pressure	Prostaglandin G/H synthase 1	Homo sapiens (human)
cyclooxygenase pathway	Prostaglandin G/H synthase 1	Homo sapiens (human)
regulation of cell population proliferation	Prostaglandin G/H synthase 1	Homo sapiens (human)
cellular oxidant detoxification	Prostaglandin G/H synthase 1	Homo sapiens (human)
prostaglandin biosynthetic process	Prostaglandin G/H synthase 2	Homo sapiens (human)
angiogenesis	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to oxidative stress	Prostaglandin G/H synthase 2	Homo sapiens (human)
embryo implantation	Prostaglandin G/H synthase 2	Homo sapiens (human)
learning	Prostaglandin G/H synthase 2	Homo sapiens (human)
memory	Prostaglandin G/H synthase 2	Homo sapiens (human)
regulation of blood pressure	Prostaglandin G/H synthase 2	Homo sapiens (human)
negative regulation of cell population proliferation	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to xenobiotic stimulus	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to nematode	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to fructose	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to manganese ion	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of vascular endothelial growth factor production	Prostaglandin G/H synthase 2	Homo sapiens (human)
cyclooxygenase pathway	Prostaglandin G/H synthase 2	Homo sapiens (human)
bone mineralization	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of prostaglandin biosynthetic process	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of fever generation	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of synaptic plasticity	Prostaglandin G/H synthase 2	Homo sapiens (human)
negative regulation of synaptic transmission, dopaminergic	Prostaglandin G/H synthase 2	Homo sapiens (human)
prostaglandin secretion	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to estradiol	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to lipopolysaccharide	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to vitamin D	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to heat	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to tumor necrosis factor	Prostaglandin G/H synthase 2	Homo sapiens (human)
maintenance of blood-brain barrier	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of protein import into nucleus	Prostaglandin G/H synthase 2	Homo sapiens (human)
hair cycle	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of apoptotic process	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of nitric oxide biosynthetic process	Prostaglandin G/H synthase 2	Homo sapiens (human)
negative regulation of cell cycle	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of vasoconstriction	Prostaglandin G/H synthase 2	Homo sapiens (human)
negative regulation of smooth muscle contraction	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of smooth muscle contraction	Prostaglandin G/H synthase 2	Homo sapiens (human)
decidualization	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of smooth muscle cell proliferation	Prostaglandin G/H synthase 2	Homo sapiens (human)
regulation of inflammatory response	Prostaglandin G/H synthase 2	Homo sapiens (human)
brown fat cell differentiation	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to glucocorticoid	Prostaglandin G/H synthase 2	Homo sapiens (human)
negative regulation of calcium ion transport	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of synaptic transmission, glutamatergic	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to fatty acid	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to mechanical stimulus	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to lead ion	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to ATP	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to hypoxia	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to non-ionic osmotic stress	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to fluid shear stress	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of transforming growth factor beta production	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of cell migration involved in sprouting angiogenesis	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of fibroblast growth factor production	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of brown fat cell differentiation	Prostaglandin G/H synthase 2	Homo sapiens (human)
positive regulation of platelet-derived growth factor production	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular oxidant detoxification	Prostaglandin G/H synthase 2	Homo sapiens (human)
regulation of neuroinflammatory response	Prostaglandin G/H synthase 2	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress	Prostaglandin G/H synthase 2	Homo sapiens (human)
cellular response to homocysteine	Prostaglandin G/H synthase 2	Homo sapiens (human)
response to angiotensin	Prostaglandin G/H synthase 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
peroxidase activity	Prostaglandin G/H synthase 1	Homo sapiens (human)
prostaglandin-endoperoxide synthase activity	Prostaglandin G/H synthase 1	Homo sapiens (human)
protein binding	Prostaglandin G/H synthase 1	Homo sapiens (human)
heme binding	Prostaglandin G/H synthase 1	Homo sapiens (human)
metal ion binding	Prostaglandin G/H synthase 1	Homo sapiens (human)
oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen	Prostaglandin G/H synthase 1	Homo sapiens (human)
peroxidase activity	Prostaglandin G/H synthase 2	Homo sapiens (human)
prostaglandin-endoperoxide synthase activity	Prostaglandin G/H synthase 2	Homo sapiens (human)
protein binding	Prostaglandin G/H synthase 2	Homo sapiens (human)
enzyme binding	Prostaglandin G/H synthase 2	Homo sapiens (human)
heme binding	Prostaglandin G/H synthase 2	Homo sapiens (human)
protein homodimerization activity	Prostaglandin G/H synthase 2	Homo sapiens (human)
metal ion binding	Prostaglandin G/H synthase 2	Homo sapiens (human)
oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen	Prostaglandin G/H synthase 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
photoreceptor outer segment	Prostaglandin G/H synthase 1	Homo sapiens (human)
cytoplasm	Prostaglandin G/H synthase 1	Homo sapiens (human)
endoplasmic reticulum membrane	Prostaglandin G/H synthase 1	Homo sapiens (human)
Golgi apparatus	Prostaglandin G/H synthase 1	Homo sapiens (human)
intracellular membrane-bounded organelle	Prostaglandin G/H synthase 1	Homo sapiens (human)
extracellular exosome	Prostaglandin G/H synthase 1	Homo sapiens (human)
cytoplasm	Prostaglandin G/H synthase 1	Homo sapiens (human)
neuron projection	Prostaglandin G/H synthase 1	Homo sapiens (human)
nuclear inner membrane	Prostaglandin G/H synthase 2	Homo sapiens (human)
nuclear outer membrane	Prostaglandin G/H synthase 2	Homo sapiens (human)
cytoplasm	Prostaglandin G/H synthase 2	Homo sapiens (human)
endoplasmic reticulum	Prostaglandin G/H synthase 2	Homo sapiens (human)
endoplasmic reticulum lumen	Prostaglandin G/H synthase 2	Homo sapiens (human)
endoplasmic reticulum membrane	Prostaglandin G/H synthase 2	Homo sapiens (human)
caveola	Prostaglandin G/H synthase 2	Homo sapiens (human)
neuron projection	Prostaglandin G/H synthase 2	Homo sapiens (human)
protein-containing complex	Prostaglandin G/H synthase 2	Homo sapiens (human)
neuron projection	Prostaglandin G/H synthase 2	Homo sapiens (human)
cytoplasm	Prostaglandin G/H synthase 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (85)

Assay ID	Title	Year	Journal	Article
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID162663	Inhibitory potency against cyclooxygenase-2 in human whole blood assay	2004	Bioorganic & medicinal chemistry letters, Mar-08, Volume: 14, Issue:5	Evaluation of loxoprofen and its alcohol metabolites for potency and selectivity of inhibition of cyclooxygenase-2.
AID676449	Inhibition of LPS-stimulated human whole blood COX-2 assessed as inhibition of PGE2 production at 10 uM by EIA	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID676456	Toxicity in rat assessed as gastric ulcerogenic activity at 0.37 to 7.45 mM/kg, po measured after 8 hrs	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID161659	Inhibitory activity against recombinant human prostaglandin G/H synthase 1	2004	Bioorganic & medicinal chemistry letters, Mar-08, Volume: 14, Issue:5	Evaluation of loxoprofen and its alcohol metabolites for potency and selectivity of inhibition of cyclooxygenase-2.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID179451	Analgesic activity on peroral administration against Scald induced pain in rat paw	1984	Journal of medicinal chemistry, Feb, Volume: 27, Issue:2	Synthesis and antiinflammatory activity of [(cycloalkylmethyl)phenyl]acetic acids and related compounds.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID676453	Selectivity index, ratio of IC50 for human COX1 to IC50 for human COX2	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID161672	Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay	2004	Bioorganic & medicinal chemistry letters, Mar-08, Volume: 14, Issue:5	Evaluation of loxoprofen and its alcohol metabolites for potency and selectivity of inhibition of cyclooxygenase-2.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID676454	Antiinflammatory activity against Wistar rat assessed as inhibition of carrageenan induced edema volume at 37.3 uM/kg, po administered 1 hr prior carrageenan-challenge measured after 3 hrs post challenge	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID162650	Inhibitory activity against recombinant human Prostaglandin G/H synthase 2	2004	Bioorganic & medicinal chemistry letters, Mar-08, Volume: 14, Issue:5	Evaluation of loxoprofen and its alcohol metabolites for potency and selectivity of inhibition of cyclooxygenase-2.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID676238	Inhibition of human whole blood COX-1 assessed as inhibition of TXB2 production at 10 uM by EIA	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID676455	Antiinflammatory activity against Wistar rat assessed as inhibition of carrageenan induced edema volume at 37.3 uM/kg, po administered 1 hr prior carrageenan-challenge measured after 6 hrs post challenge	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID676239	Inhibition of human whole blood COX-1 assessed as inhibition of TXB2 production at 100 uM by EIA	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID676450	Inhibition of LPS-stimulated human whole blood COX-2 assessed as inhibition of PGE2 production at 100 uM by EIA	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity.
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID182609	Antiinflammatory activity on peroral administration against carrageenan paw edema	1984	Journal of medicinal chemistry, Feb, Volume: 27, Issue:2	Synthesis and antiinflammatory activity of [(cycloalkylmethyl)phenyl]acetic acids and related compounds.
AID592681	Apparent permeability across human Caco2 cell membrane after 2 hrs by LC-MS/MS analysis	2011	Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8	QSAR-based permeability model for drug-like compounds.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	10 (4.26)	18.7374
1990's	16 (6.81)	18.2507
2000's	59 (25.11)	29.6817
2010's	114 (48.51)	24.3611
2020's	36 (15.32)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	41 (16.80%)	5.53%
Reviews	7 (2.87%)	6.00%
Case Studies	54 (22.13%)	4.05%
Observational	2 (0.82%)	0.25%
Other	140 (57.38%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (16)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Autologous Platelet Rich Plasma in Ultrasound Guided Intervertebral Disk Injection Therapy for Chronic Low Back Pain[NCT02983747]		112 participants (Anticipated)	Interventional	2019-11-01	Recruiting
A Phase 2, Randomized, Double-Blind, Parallel-Group and Placebo-Controlled Pilot Study to Assess the Safety and Efficacy of a New Pain Patch Versus Placebo and No Treatment for the Treatment of Delayed Onset Muscle Soreness (DOMS)[NCT02602353]	Phase 2	42 participants (Actual)	Interventional	2015-10-31	Completed
A Phase III, Randomized, Double Blind, Non-inferiority, Comparative Study of the New Transdermal Patch Dosage Form Containing Loxoprofen Sodium (100 mg) and Loxonin® (60 mg Tablet) for the Treatment of Acute Traumatic Injuries[NCT02616068]	Phase 3	242 participants (Actual)	Interventional	2015-10-31	Completed
A Randomized, Placebo-Controlled, Double-Blind, Phase 4 Study To Compare The Effect Of Celecoxib 100 Mg BID, Loxoprofen 60 Mg TID And Placebo On The Gastroduodenal Mucosa In Healthy Subjects[NCT00994461]	Phase 4	190 participants (Actual)	Interventional	2009-11-30	Completed
A Single-Centre, Open, Randomised, Three-Way Cross-Over Drug-Drug Interaction Study of Esomeprazole (D961H) Capsule and Loxoprofen Tablet After Repeated Oral Administration in Japanese Healthy Male Subjects[NCT00676117]	Phase 1	30 participants (Anticipated)	Interventional	2008-04-30	Completed
Non-Steroidal Anti-inflammatory Drugs (NSAIDS) vs. Tramadol in Pain Management After Transnasal Transsphenoidal Surgery Among Patients With Pituitary Adenomas: A Prospective Randomized Controlled Trial[NCT04611685]		202 participants (Anticipated)	Interventional	2020-10-31	Recruiting
A Multicenter, Randomized, Single Blind, Positive Drug and Placebo Parallel Controlled Phase II Clinical Trial to Evaluate the Efficacy and Safety of HRF2105patch in Relieving Pain of Osteoarthritis[NCT06047483]	Phase 2	90 participants (Anticipated)	Interventional	2023-10-31	Not yet recruiting
Clinical Trial to Evaluate the Efficacy of Bee Venom Acupuncture on Chronic Low Back Pain[NCT01491321]	Phase 2	54 participants (Anticipated)	Interventional	2011-04-30	Recruiting
A Randomized, Multicenter, Active And Placebo Controlled Parallel Group Study To Evaluate The Efficacy And Safety Of Celecoxib (Ym177) 200 Bid Compared To Loxoprofen 60 Mg Tid In Patients With Low Back Pain[NCT00141154]	Phase 3	1,234 participants (Actual)	Interventional	2004-10-31	Completed
Clinical Research on the Efficacy and Safety of East-West Collaborative Treatment Using NSAIDs and BV on Chronic Cervical Pain; A Randomized, Controlled, Parallel, Pilot Study[NCT01922466]	Phase 2	60 participants (Anticipated)	Interventional	2013-07-31	Completed
Efficacy and Safety of Loxoprofen Hydrogel Patch Versus Loxoprofen Tablet in Patients With Ankylosing Spondylitis: a 4-week Randomized, Open-label Study[NCT03800797]	Phase 4	70 participants (Actual)	Interventional	2015-05-25	Completed
[NCT01779271]	Phase 3	183 participants (Actual)	Interventional	2013-01-31	Completed
A Randomized, Double Blind, Placebo-controlled Pilot-study to Evaluate Efficacy and Safety of Low-dose hrIL-2 in the Treatment of Methotrexate (MTX)-Naive Patients With Rheumatoid Arthritis[NCT02467504]	Phase 2	47 participants (Actual)	Interventional	2015-07-01	Completed
Open-label, Single-group, Multicentre, Phase III Study to Confirm the Efficacy and Safety of IP-TN When Administered for 2 Weeks to Patients With Low Back Pain, Scapulohumeral Periarthritis, or Cervico-omo-brachial Syndrome Associated With Muscle Strain[NCT02831569]	Phase 3	80 participants (Actual)	Interventional	2016-07-27	Completed
An in Vivo Bioequivalence Study of FABALOFEN 60 (Loxoprofen Sodium 60mg/Tablet) of Pharbaco Central Pharmaceutical J.S.C No.I With JAPROLOX® TABLETS (Loxoprofen Sodium 60mg/Tablet) of Daiichi Sankyo Propharma Co., Ltd[NCT04386122]	Phase 1	24 participants (Actual)	Interventional	2020-05-07	Completed
Clinical Research on the Efficacy and Safety of Bosinji on LBP and Radiculopathy by HIVD of L-spine; A Multicenter, Randomized, Controlled, Clinical Trial[NCT03386149]	Phase 3	74 participants (Actual)	Interventional	2017-12-28	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Incidence of Gastroduodenal Ulcers

The percentage of subjects who had gastroduodenal endoscopic ulcers after 2 weeks treatment (The number of subjects who had gastroduodenal endoscopic ulcers after 2 weeks treatment divided by participants multiplied by 100.) An ulcer is defined as any break in the mucosa at least 3 mm in diameter with unequivocal depth. (NCT00994461)
Timeframe: 2 weeks

Intervention	Percent (Number)
Celecoxib	1.4
Loxoprofen	27.6
Placebo	2.7

Incidence of Treatment-emergent, All-causality GI Body System Adverse Events

The percentage of subjects who had treatment-emergent, all-causality gastrointestinal body system adverse events after 2 weeks treatment (The number of subjects who had treatment-emergent, all-causality gastrointestinal body system adverse events after 2 weeks treatment divided by participants multiplied by 100.) (NCT00994461)
Timeframe: 2 weeks

Intervention	Percent (Number)
Celecoxib	24.3
Loxoprofen	47.4
Placebo	16.2

Incidence of Any Gastric, and Duodenal Ulcers

The percentage of subjects who had gastric and duodenal endoscopic ulcers after 2 weeks treatment (The number of subjects who had gastric and duodenal endoscopic ulcers after 2 weeks treatment divided by participants multiplied by 100.) An ulcer is defined as any break in the mucosa at least 3 mm in diameter with unequivocal depth. (NCT00994461)
Timeframe: 2 weeks

Intervention	Percent (Number)
	Gastric ulcers	Duodenal ulcers
Celecoxib	0	1.4
Loxoprofen	25.0	5.3
Placebo	2.7	0

Incidence of Any Gastroduodenal, Gastric, and Duodenal Ulcers and/or Erosions

The percentage of subjects who had gastroduodenal, gastric, and duodenal endoscopic ulcers and/or erosions after 2 weeks treatment (The number of subjects who had gastroduodenal, gastric, and duodenal endoscopic ulcers and/or erosions after 2 weeks treatment divided by participants multiplied by 100.) An ulcer is defined as any break in the mucosa at least 3 mm in diameter with unequivocal depth. An erosion is defined as a lesion producing a definite break in the mucosa with equivocal depth. (NCT00994461)
Timeframe: 2 weeks

Intervention	Percent (Number)
	Gastroduodenal ulcers and/or erosions	Gastric ulcers and/or erosions	Duodenal ulcers and/or erosions
Celecoxib	36.5	35.1	4.1
Loxoprofen	53.9	53.9	5.3
Placebo	24.3	24.3	0

Number of Gastroduodenal Erosions in Each Subject

Number of subjects for each number of gastroduodenal endoscopic erosions after 2 weeks treatment (An erosion is defined as a lesion producing a definite break in the mucosa with equivocal depth.) (NCT00994461)
Timeframe: 2 weeks

Intervention	Participants (Number)
	0 erosion	1 erosion	2 erosions	3 erosions	4 erosions	5 erosions	6 erosions	7 erosions	8 erosions	9 erosions	10 or more erosions
Celecoxib	47	14	4	5	0	0	2	1	0	0	1
Loxoprofen	41	13	3	9	4	3	1	1	1	0	0
Placebo	29	5	1	2	0	0	0	0	0	0	0

Number of Gastroduodenal Ulcers in Each Subject

Number of subjects for each number of gastroduodenal endoscopic ulcers after 2 weeks treatment (An ulcer is defined as any break in the mucosa at least 3 mm in diameter with unequivocal depth.) (NCT00994461)
Timeframe: 2 weeks

Intervention	Participants (Number)
	0 ulcer	1 ulcer	2 ulcers	3 ulcers	4 ulcers	5 ulcers	6 ulcers	7 ulcers	8 ulcers	9 ulcers	10 or more ulcers
Celecoxib	73	1	0	0	0	0	0	0	0	0	0
Loxoprofen	55	10	5	2	0	0	1	2	1	0	0
Placebo	36	1	0	0	0	0	0	0	0	0	0

Post-treatment Gastroduodenal Endoscopic Scores (According to Mucosal Grading Scale)

Number of subjects for each gastroduodenal endoscopic score (according to Mucosal Grading Scale) after 2 weeks treatment (Score 0 = normal mucosa (no visible lesions); Score 1 = 1 to 10 petechiae; Score 2 = more than 10 petechiae; Score 3 = 1 to 5 erosions; Score 4 = 6 to 10 erosions; Score 5 = 11 to 25 erosions; Score 6 = more than 25 erosions; Score 7 = ulcer) (NCT00994461)
Timeframe: 2 weeks

Intervention	Participants (Number)
	Score 0	Score 1	Score 2	Score 3	Score 4	Score 5	Score 6	Score 7
Celecoxib	38	8	1	22	4	0	0	1
Loxoprofen	33	2	0	19	1	0	0	21
Placebo	22	6	0	8	0	0	0	1

Number of Participants With Adverse Events

adverse events includes injection site reactions, influenza-like symptoms, infection, fever, tumor, cardiovascular event, drug-induced liver and kidney damage. (NCT02467504)
Timeframe: Up to week 24

Intervention	Participants (Count of Participants)
Experimental	11
Placebo Comparator	9

Percentage of Participants Achieving DAS28 Remission.

DAS 28 remission is defined by a disease activity score (28 joint) calculated using the erythrocyte sedimentation rate (DAS28-ESR) of less than 2.6 (NCT02467504)
Timeframe: week 24

Intervention	Participants (Count of Participants)
Experimental	6
Placebo Comparator	6

C Reactive Protein (CRP)

(NCT02467504)
Timeframe: week 12, week 24

Intervention	mg/L (Mean)
	week 24	week 12
Experimental	21.6	9.5
Placebo Comparator	15.32	7.8

Erythrocyte Sedimentation Rate (ESR)

(NCT02467504)
Timeframe: week 12, week 24

Intervention	millimeter/hour (Mean)
	Week 24	Week 12
Experimental	43.3	29.6
Placebo Comparator	36.8	28.3

Percentage of CD4+ Treg Cells

analysis regulatory CD4+ T(Treg) cells before and during IL-2 treatment. P values<0.05 are considered statistically significant. (NCT02467504)
Timeframe: week 12, week 24

Intervention	percentage of CD4+ T cells (Mean)
	Week 24	Week 12
Experimental	6.94	6.84
Placebo Comparator	6.46	5.37

Percentage of Participants Achieving a Good or Moderate European League Against Rheumatism (EULAR) Response

"Good response is defined as: DAS28-ESR ≤ 3.2 and decrease from Baseline by > 1.2.~moderate response is defined as achievement of one of the following: DAS28-ESR ≤ 3.2 and decrease from Baseline > 0.6 and ≤ 1.2 DAS28-ESR > 3.2 and ≤ 5.1 and decrease from Baseline > 0.6 DAS28-ESR > 5.1 and decrease from Baseline >1.2." (NCT02467504)
Timeframe: week 12, week 24

Intervention	Participants (Count of Participants)
	week 24	week 12
Experimental	17	15
Placebo Comparator	20	14

Percentage of Participants Achieving DAS28 Low Disease Activity.

Low disease activity is defined by a disease activity score (28 joint) calculated using the erythrocyte sedimentation rate (DAS28-ESR) of less than 3.2 (NCT02467504)
Timeframe: week 12, week 24

Intervention	Participants (Count of Participants)
	week 24	week 12
Experimental	8	7
Placebo Comparator	9	7

Percentage of Participants Meeting the 2011 American College of Rheumatology/ European League Against Rheumatism (ACR/EULAR) Remission Criteria Simplified for Clinical Practice

The 2011 ACR/EULAR remission criteria simplified for clinical practice is defined as:Tender Joint Count (TJC) ≤ 1, Swollen Joint Count (SJC) ≤ 1 and Patient's Global Assessment of Disease Activity (PtGADA) ≤ 1. (NCT02467504)
Timeframe: week 12, week 24

Intervention	Participants (Count of Participants)
	week 24	week 12
Experimental	2	0
Placebo Comparator	1	0

Percentage of Participants Meeting the American College of Rheumatology 20% Response Criteria

The assessments are based on a 20% or greater improvement from Baseline in the number of tender joints, a 20%, or more improvement in the number of swollen joints, and a 20% or greater improvement in 3 of the 5 remaining core set measures: Patient's Global Assessment of Disease Activity (PtGADA), Physician's Global Assessment of Disease Activity (PhGADA), Patient's Assessment of Arthritis Pain (PtAAP), physical function as assessed by the Health Assessment Questionnaire - Disability Index (HAQ-DI) and C-Reactive Protein (CRP). (NCT02467504)
Timeframe: week 12, week 24

Intervention	Participants (Count of Participants)
	week 24	week 12
Experimental	13	12
Placebo Comparator	13	10

Percentage of Participants Meeting the American College of Rheumatology 50% Response Criteria

The assessments are based on a 50% or greater improvement from Baseline in the number of tender joints, a 50%, or more improvement in the number of swollen joints, and a 50% or greater improvement in 3 of the 5 remaining core set measures: Patient's Global Assessment of Disease Activity (PtGADA), Physician's Global Assessment of Disease Activity (PhGADA), Patient's Assessment of Arthritis Pain (PtAAP), physical function as assessed by the Health Assessment Questionnaire - Disability Index (HAQ-DI) and C-Reactive Protein (CRP). (NCT02467504)
Timeframe: week 12, week 24

Intervention	Participants (Count of Participants)
	week 24	weed 12
Experimental	10	6
Placebo Comparator	8	3

Percentage of Participants Meeting the American College of Rheumatology 70% Response Criteria

The assessments are based on a 70% or greater improvement from Baseline in the number of tender joints, a 70%, or more improvement in the number of swollen joints, and a 70% or greater improvement in 3 of the 5 remaining core set measures: Patient's Global Assessment of Disease Activity (PtGADA), Physician's Global Assessment of Disease Activity (PhGADA), Patient's Assessment of Arthritis Pain (PtAAP), physical function as assessed by the Health Assessment Questionnaire - Disability Index (HAQ-DI) and C-Reactive Protein (CRP). (NCT02467504)
Timeframe: week 12, week 24

Intervention	Participants (Count of Participants)
	week 24	week 12
Experimental	4	2
Placebo Comparator	2	0

The Change From Baseline of a Health Assessment Questionnaire- Disability Index (HAQ-DI)

"The domains of the HAQ-DI are dressing and grooming, arising, eating, walking, hygiene, reach, grip and common daily activities. The total score ranges from 0 to 3 with lower scores meaning lower disability.~The change from baseline of HAQ-DI, minimum is -3, the maximum is 3. higher scores mean a worse outcome." (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	-0.63	-0.50
Placebo Comparator	-0.38	-0.25

The Change From Baseline of Clinical Disease Activity Index (CDAI)

"Clinical Disease Activity Index(CDAI), the minimum is 0, the maximum is 76. higher scores mean a worse outcome.~The change of from baseline of CDAI, the minimum is -76, the maximum is 76. higher scores mean a worse outcome." (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	-17.5	-15.0
Placebo Comparator	-11	-8.0

The Change From Baseline of Patient's Assessment of Arthritis Pain (PtAAP)

VAS score from 0 to 100 for Patient's Assessment of Arthritis Pain higher scores mean a worse outcome. The change from baseline of PtAAP, the minimum is -100, the maximum is 100. (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	-57.5	-57.1
Placebo Comparator	-33.3	-27.3

The Change From Baseline of Patient's Global Assessment of Disease Activity (PtGADA)

VAS score from 0 to 100 for Patient's Global Assessment of Disease Activity Higher scores mean a worse outcome. The change from baseline of PtGADA, the minimum is -100, the maximum is 100. Higher scores mean a worse outcome. (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	-57.5	-57.1
Placebo Comparator	-33.3	-33.3

The Change From Baseline of Physician's Global Assessment of Disease Activity (PhGADA)

VAS score from 0 to 100 for Physician's Global Assessment of Disease Activity higher scores mean a worse outcome. The change from baseline, the minimum is -100, the maximum is 100. (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	-58.3	-57.1
Placebo Comparator	-44.4	-25.0

The Change From Baseline of Simplified Disease Activity Index (SDAI)

"Simplified Disease Activity Index(SDAI). the minimum is 0, the maximum is 96. higher scores mean worse outcome.~The change from baseline of SDAI. the minimum is -96, the maximum is 96. higher scores mean worse outcome." (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	-19.0	-16.9
Placebo Comparator	-12.1	-9.2

The Scores of SF-36 Quetionnaire

Score ranging from 0 to 100 with higher scores a better outcome. (NCT02467504)
Timeframe: week 12, week 24

Intervention	score on a scale (Median)
	week 24	week 12
Experimental	15.29	24.32
Placebo Comparator	6.90	27.25

Work Productivity Survey - Rheumatoid Arthritis [WPS-RA]-2

In the last month, number of work days missed, number of work days with reduced productivity. In the last month, number of days with no household work, number of days with reduced household work productivity, number of days with hired outside help, number of days missed of family/social/leisure activities in the last month.higher scores mean a worse outcome. (NCT02467504)
Timeframe: week 24

Intervention	days (Median)
	number of work days with reduced productivity	number of work days missed	Household work days missed due to arthritis	Days with household work productivity reduced	Days with activities missed due to arthritis	Days with outside help hired due to arthritis
Experimental	3.5	0	0	15	5	0
Placebo Comparator	0	0	0	12	0	0

Work Productivity Survey - Rheumatoid Arthritis [WPS-RA]

The Arthritis interference in the last month with work productivity is measured on a scale that ranges from 0 (no interference) to 10 (complete interference). The Arthritis interference in the last month with household work productivity is measured on a scale that ranges from 0 (no interference) to 10 (complete interference).higher scores mean a worse outcome. (NCT02467504)
Timeframe: week 24

Intervention	units on a scale (Median)
	rate of Arthritis interference	Rate of arthritis interference with household work
Experimental	3	5
Placebo Comparator	2	5

Assessment of Pain Due to Low Back Pain, Scapulohumeral Periarthritis or Cervico-omo-brachial Syndrome After 2 Weeks of Treatment

"The outcome measure presents percentage of patients who showed marked improvement or moderate improvement in low back pain and/or scapulohumeral periarthritis and/or cervico-omo-brachial syndrome after 2 weeks of treatment." (NCT02831569)
Timeframe: Post 2 weeks.

Intervention	Percentage of participants (Number)
Loxoprofen Sodium/Methocarbamol [FDC]	37.5

Percentage of Patients With Drug-related Adverse Events [AEs]

The outcome measure presents percentage of patients with drug-related AEs. (NCT02831569)
Timeframe: Up to 3 weeks.

Intervention	Percentage of participants (Number)
Loxoprofen Sodium/Methocarbamol [FDC]	7.5

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
ibuprofen	[no description available]	high	11	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ibuprofen	[no description available]	high	11	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
indomethacin	[no description available]	medium	16	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
indomethacin	[no description available]	medium	16	2	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
pelubiprofen	[no description available]	medium	1	0
tofisopam	[no description available]	medium	1	0	organic sodium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
rofecoxib	[no description available]	medium	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5h)-furanone	[no description available]	medium	1	0
gamma-aminobutyric acid	[no description available]	medium	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	1	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	2	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	1	0
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	1	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	1	0
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1	0
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1	0
1,5-dihydroxyisoquinoline	[no description available]	medium	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	1	0	imidazoles
1-aminobenzotriazole	[no description available]	medium	1	0
1-methylimidazole	[no description available]	medium	1	0	imidazoles
edelfosine	[no description available]	medium	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	0	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	1	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	1	0	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1	0
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	1	0	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin	[no description available]	medium	2	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid	[no description available]	medium	1	0	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	1	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	1	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	0	acetamides
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1	0
6-nitroso-1,2-benzopyrone	[no description available]	medium	1	0
7-chlorokynurenic acid	[no description available]	medium	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	1	0
8-(4-sulfophenyl)theophylline	[no description available]	medium	1	0
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	1	0	oxopurine
8-phenyltheophylline	[no description available]	medium	1	0
acetazolamide	[no description available]	medium	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	3	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	1	0	nitrophenol
rtki cpd	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	1	0	catechols
tyrphostin 25	[no description available]	medium	1	0	benzenetriol
tyrphostin a1	[no description available]	medium	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1	0
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	1	0
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline	[no description available]	medium	2	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
aspirin	[no description available]	medium	12	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
aspirin	[no description available]	medium	12	3	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	2	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	0	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	0	benzamides
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	1	0	N-acylindole
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	2	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
carbamazepine	[no description available]	medium	2	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	1	0	benzenes
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 12066	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	1	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	1	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	1	0	quinolines
cilostazol	[no description available]	medium	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	4	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1	0
cyclothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	1	0
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	0	diarylmethane
diazoxide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
dipyridamole	[no description available]	medium	1	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	1	0
thiorphan	[no description available]	medium	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ellipticine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	high	5	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
etodolac	[no description available]	high	5	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	1	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	2	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flumazenil	[no description available]	medium	2	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	1	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	1	0	diarylmethane
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	1	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	0	oxopurine
furosemide	[no description available]	medium	2	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	1	0
glipizide	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	0	isoquinolines
haloperidol	[no description available]	medium	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	0	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1	0
hydrochlorothiazide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	1	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
ic 261	[no description available]	medium	1	0	indoles
ifenprodil	[no description available]	medium	1	0	piperidines
indirubin-3'-monoxime	[no description available]	medium	1	0
iodoacetamide	[no description available]	medium	1	0
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
4-piperidinecarboxylic acid	[no description available]	medium	1	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
jl 18	[no description available]	medium	1	0
nsc 664704	[no description available]	medium	1	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole	[no description available]	medium	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	7	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	1	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	3	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lansoprazole	[no description available]	medium	3	2	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	1	0	indoles
loratadine	[no description available]	medium	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	0	organic sodium salt
methiothepin	[no description available]	medium	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	2	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
milrinone	[no description available]	medium	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	1	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	1	0	beta-carbolines
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	1	0
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine	[no description available]	medium	2	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	1	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	1	0	nitrobenzoic acid
ns 2028	[no description available]	medium	1	0
ns 1619	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1	0
ofloxacin	[no description available]	medium	2	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	high	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	1	0	phenylalanine derivative
palmidrol	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine	[no description available]	medium	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	1	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	1	0	oxopurine
perphenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	1	0	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	1	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	medium	1	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	1	0	benzamides
pinacidil	[no description available]	medium	1	0	pyridines
pindolol	[no description available]	medium	2	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	1	0
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	0	aromatic ketone
praziquantel	[no description available]	medium	1	0	isoquinolines
primidone	[no description available]	medium	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	1	0	oxopurine
propofol	[no description available]	medium	1	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	1	0	quinolines
riluzole	[no description available]	medium	1	0	benzothiazoles
risperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	0	methoxybenzenes
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	0	organic molecular entity
spiroxatrine	[no description available]	medium	1	0	imidazolidines
sq 22536	[no description available]	medium	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulpiride	[no description available]	medium	2	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	1	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1	0
terfenadine	[no description available]	medium	1	0	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	1	0	phosphoramide
thalidomide	[no description available]	medium	1	0	phthalimides; piperidones
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1	0
ici 136,753	[no description available]	medium	1	0	pyrazolopyridine
triamterene	[no description available]	medium	1	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	2	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	0	acetamides
tyrphostin a9	[no description available]	medium	1	0	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	1	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
corticosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
procaine hydrochloride	[no description available]	medium	1	0	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	1	0	catechols
histamine dihydrochloride	[no description available]	medium	1	0
carbachol	[no description available]	medium	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	0	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	1	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	1	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	1	0
hexamethonium bromide	[no description available]	medium	1	0
cystamine dihydrochloride	[no description available]	medium	1	0
cantharidin	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	1	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	medium	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
vincristine	[no description available]	medium	1	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	1	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	medium	2	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	1	0	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	1	0
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	3	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	1	0
gallamine triethiodide	[no description available]	medium	1	0
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	1	0
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
tryptophan	[no description available]	medium	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	1	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	1	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
imipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	0	bromide salt
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	1	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	0	benzoate ester
chelidamic acid	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	1	0	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
aminophylline	[no description available]	medium	1	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	1	0
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	1	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	1	0
amitriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	0	organic molecular entity
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	0	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	1	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Mecamylamine hydrochloride	[no description available]	medium	1	0	monoterpenoid
vinblastine	[no description available]	medium	1	0
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	0	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	1	0
antazoline hydrochloride	[no description available]	medium	1	0
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1	0
clonidine hydrochloride	[no description available]	medium	1	0	dichlorobenzene
beclomethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	1	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	1	0
metoclopramide hydrochloride	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	1	0
camptothecin	[no description available]	medium	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
nsc-145,668	[no description available]	medium	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	1	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
danazol	[no description available]	medium	2	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	1	0	organoammonium phosphate
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	0	ergot alkaloid
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
zidovudine	[no description available]	medium	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	2	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	1	0
butaclamol	[no description available]	medium	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	1	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	0	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1	0
colforsin	[no description available]	medium	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	1	0	aromatic ketone
atomoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1	0
imazodan	[no description available]	medium	1	0
mibefradil dihydrochloride	[no description available]	medium	1	0
aptiganel hydrochloride	[no description available]	medium	1	0
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate	[no description available]	medium	1	0	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	1	0	hydrochloride
bupropion hydrochloride	[no description available]	medium	1	0	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1	0
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	1	0
dobutamine hydrochloride	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
proadifen hydrochloride	[no description available]	medium	1	0
4-nitrobenzylthioinosine	[no description available]	medium	1	0	purine nucleoside
metrifudil	[no description available]	medium	1	0
rutecarpine	[no description available]	medium	1	0	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	1	0	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	1	0
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	1	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	1	0
nilverm	[no description available]	medium	1	0	organic molecular entity
sanguinarine chloride	[no description available]	medium	1	0
ropinirole hydrochloride	[no description available]	medium	1	0	indoles
plasmenylserine	[no description available]	medium	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1	0
n-acetyltryptamine	[no description available]	medium	1	0	acetamides; indoles
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	1	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	1	0
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	0	hydrochloride
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1	0
siguazodan	[no description available]	medium	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	1	0
tosyllysine chloromethyl ketone	[no description available]	medium	1	0
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	1	0
agroclavine	[no description available]	medium	1	0	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1	0
p-Aminobenzamidine dihydrochloride	[no description available]	medium	1	0	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1	0
ketorolac tromethamine	[no description available]	medium	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1	0
carbetapentane citrate	[no description available]	medium	1	0	carbonyl compound
phentolamine mesylate	[no description available]	medium	1	0
mephentermine	[no description available]	medium	1	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	1	0	hydrochloride
nimustine	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	0	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1	0
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	1	0
3-aminopropylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1	0
zpck	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	1	0	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	0	methyladenosine
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1	0
u 73122	[no description available]	medium	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	1	0	beta-carbolines
u 69593	[no description available]	medium	1	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	1	0	beta-carbolines
methoctramine	[no description available]	medium	1	0	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	0	dicarboxylic acid
gabazine	[no description available]	medium	1	0
cl 218872	[no description available]	medium	1	0	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	1	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	1	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	0	capsaicinoid
ml 9	[no description available]	medium	1	0
parthenolide	[no description available]	medium	1	0	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	1	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	0	acetamides
arcaine, sulfate	[no description available]	medium	1	0
gr 113808	[no description available]	medium	1	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	1	0
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	1	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	1	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	0	methylindole
san 58035	[no description available]	medium	1	0
nnc 711	[no description available]	medium	1	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	1	0	diarylmethane
e 64	[no description available]	medium	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1	0
pre 084	[no description available]	medium	1	0	morpholines
methotrexate	[no description available]	medium	4	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	1	0
sr 2640	[no description available]	medium	1	0	quinolines
ici 204448	[no description available]	medium	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	1	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	1	0
l 741626	[no description available]	medium	1	0	piperidines
nisoxetine hydrochloride	[no description available]	medium	1	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1	0
alpha-guanidinoglutaric acid	[no description available]	medium	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1	0
nsc-141549	[no description available]	medium	1	0
2-chloro-2-deoxyglucose	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
isoguvacine hydrochloride	[no description available]	medium	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	0	oxopurine
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	0	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	0	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1	0
ag 3-5	[no description available]	medium	1	0	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	0	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	1	0
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1	0
abt 980	[no description available]	medium	1	0
sk&f 75670	[no description available]	medium	1	0
esatenolol	[no description available]	medium	1	0	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	1	0	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	0	atenolol
memantine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1	0
pongidae	[no description available]	medium	1	0
succinylproline	[no description available]	medium	1	0	N-acyl-amino acid
sb 205384	[no description available]	medium	1	0	thienopyridine
hydrastine	[no description available]	medium	1	0	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1	0
etiron monohydrobromide	[no description available]	medium	1	0
bmy 7378	[no description available]	medium	1	0
vesamicol	[no description available]	medium	1	0
cortisone	[no description available]	medium	2	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vincristine sulfate	[no description available]	medium	1	0	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1	0
nsc 95397	[no description available]	medium	1	0	1,4-naphthoquinones
wortmannin	[no description available]	medium	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
lithium chloride	[no description available]	medium	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain	[no description available]	medium	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1	0
Dubinidine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
hydroxylamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
sb 228357	[no description available]	medium	1	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	1	0
vinpocetine	[no description available]	medium	1	0	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	1	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	1	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol	[no description available]	medium	1	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	1	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	1	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
L-cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1	0
purvalanol a	[no description available]	medium	1	0	purvalanol
melphalan	[no description available]	medium	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	1	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	1	0	benzamides
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	1	0
Reactive blue 2	[no description available]	medium	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	0	dichlorobenzene
quinidine sulfate	[no description available]	medium	1	0
ipratropium bromide anhydrous	[no description available]	medium	1	0
methamilane methiodide	[no description available]	medium	1	0
pilocarpine nitrate	[no description available]	medium	1	0
r 59949	[no description available]	medium	1	0	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
methylatropine nitrate	[no description available]	medium	1	0
sb 366791	[no description available]	medium	1	0
ag-213	[no description available]	medium	1	0
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	1	0
(S)-(-)-pindolol	[no description available]	medium	1	0	pindolol
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	1	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	1	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac	[no description available]	high	2	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1	0
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	1	0	hydrochloride
tacrine hydrochloride	[no description available]	medium	1	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	1	0
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	1	0
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	1	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1	0
capsazepine	[no description available]	medium	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	1	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1	0
Betaine Aldehyde Chloride	[no description available]	medium	1	0	quaternary ammonium salt
eskazine	[no description available]	medium	1	0
monastrol	[no description available]	medium	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	1	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	1	0
bp 897	[no description available]	medium	1	0	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	1	0
neboglamine	[no description available]	medium	1	0
benzatropine methanesulfonate	[no description available]	medium	1	0
sb 203186	[no description available]	medium	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	1	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	1	0
cgp 13501	[no description available]	medium	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	1	0
brl 15572	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	1	0
or486	[no description available]	medium	1	0
fg 9041	[no description available]	medium	1	0	quinoxaline derivative
iik7	[no description available]	medium	1	0
sb 415286	[no description available]	medium	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	1	0
jhw 015	[no description available]	medium	1	0	indolecarboxamide
bw 723c86	[no description available]	medium	1	0	tryptamines
sc 560	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220	[no description available]	medium	1	0	aromatic ether
le 300	[no description available]	medium	1	0	indoles
ly 367265	[no description available]	medium	1	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
cgp 7930	[no description available]	medium	1	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	1	0	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	1	0
sphingosine	[no description available]	medium	1	0	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	1	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
daphnetin	[no description available]	medium	1	0	hydroxycoumarin
genistein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
clemastine fumarate	[no description available]	medium	1	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	1	0	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate	[no description available]	medium	1	0	maleate salt	antidepressant
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	1	0
flunarizine hydrochloride	[no description available]	medium	1	0	diarylmethane
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	1	0	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	2	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
brefeldin a	[no description available]	medium	1	0	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	1	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
l 655,708	[no description available]	medium	1	0
ro 41-1049	[no description available]	medium	1	0
sb 200646a	[no description available]	medium	1	0
seglitide	[no description available]	medium	1	0
sib 1893	[no description available]	medium	1	0
su 6656	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
tyrphostin ag-494	[no description available]	medium	1	0
tyrphostin b44	[no description available]	medium	1	0
ag-490	[no description available]	medium	1	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	1	0
ag 183	[no description available]	medium	1	0
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine	[no description available]	medium	1	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	1	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	1	0
nalbuphine hydrochloride	[no description available]	medium	1	0	hydrochloride
isoalloxazine	[no description available]	medium	1	0	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	1	0
dextromethorphan hydrobromide	[no description available]	medium	1	0	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	1	0	sesquiterpenoid
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	0	benzamides
quipazine maleate	[no description available]	medium	1	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1	0
tulobuterol hydrochloride	[no description available]	medium	1	0	organic molecular entity
hp 029	[no description available]	medium	1	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	1	0	naphthalenes
nf023	[no description available]	medium	1	0
nf 449	[no description available]	medium	1	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	1	0
gr 46611	[no description available]	medium	1	0
diacetylmonoxime	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	1	0
vancomycin hydrochloride	[no description available]	medium	1	0
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dizocilpine maleate	[no description available]	medium	1	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1	0
flupirtine	[no description available]	medium	1	0
zimelidine hydrochloride	[no description available]	medium	1	0
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	1	0
su 4312	[no description available]	medium	1	0
gw 1929	[no description available]	medium	1	0	benzophenones
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	1	0
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1	0
cb 34	[no description available]	medium	1	0
b 43	[no description available]	medium	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1	0
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	1	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1	0
gw2974	[no description available]	medium	1	0	pyridopyrimidine
l 162313	[no description available]	medium	1	0
l-165041	[no description available]	medium	1	0	aromatic ketone
mrs 1754	[no description available]	medium	1	0	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1	0
sb 222200	[no description available]	medium	1	0	quinolines
dantrolene sodium	[no description available]	medium	1	0
cr 2945	[no description available]	medium	1	0
sb 218795	[no description available]	medium	1	0	quinolines
dihydroceramide	[no description available]	medium	1	0	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
butylscopolammonium bromide	[no description available]	medium	1	0
butaclamol hydrochloride	[no description available]	medium	1	0
a 38503	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1	0
sk&f 89976-a	[no description available]	medium	1	0
cv 1808	[no description available]	medium	1	0	purine nucleoside
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	1	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1	0
(R)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1	0
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
t 1032	[no description available]	medium	1	0
qx-314 bromide	[no description available]	medium	1	0
(S)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	1	0
u 74389g	[no description available]	medium	1	0
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	1	0
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1	0
noscapine hydrochloride	[no description available]	medium	1	0
a 77636	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	1	0
levodopa methyl ester hydrochloride	[no description available]	medium	1	0
benalfocin hydrochloride	[no description available]	medium	1	0
lu 19005	[no description available]	medium	1	0
benoxathian hydrochloride	[no description available]	medium	1	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	1	0
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
calpain inhibitor iii	[no description available]	medium	1	0
GR 127935 hydrochloride	[no description available]	medium	1	0	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	1	0
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	1	0
alaproclate hydrochloride	[no description available]	medium	1	0
ubenimex	[no description available]	medium	1	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1	0
dsp 4 hydrochloride	[no description available]	medium	1	0
calcimycin	[no description available]	medium	1	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	1	0
cirazoline monohydrochloride	[no description available]	medium	1	0
adtn	[no description available]	medium	1	0
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	1	0
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	0	indoles
lilly 78335	[no description available]	medium	1	0
efaroxan hydrochloride	[no description available]	medium	1	0
fenoldopam hydrobromide	[no description available]	medium	1	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	1	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	1	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	1	0
4-methylpyrazole monohydrochloride	[no description available]	medium	1	0
tele-methylhistamine	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	1	0
octoclothepine maleate	[no description available]	medium	1	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	1	0
du 24565	[no description available]	medium	1	0
2-methoxyidazoxan hydrochloride	[no description available]	medium	1	0
ro 25-6981	[no description available]	medium	1	0
sk&f 77434	[no description available]	medium	1	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	1	0
atropine sulfate	[no description available]	medium	1	0
1-deoxynojirimycin hydrochloride	[no description available]	medium	1	0
win 62577	[no description available]	medium	1	0
quinine sulfate	[no description available]	medium	1	0	hydrate
quercetin	[no description available]	medium	1	0
rv 538, (r-(r,r))-isomer	[no description available]	medium	1	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1	0
taurocholic acid, monosodium salt	[no description available]	medium	1	0	bile salt
cefmetazole sodium	[no description available]	medium	1	0	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	1	0
cephapirin sodium	[no description available]	medium	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1	0
ro13-9904	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
cr 1409	[no description available]	medium	1	0
cortisol succinate, sodium salt	[no description available]	medium	1	0	organic molecular entity
piroxicam	[no description available]	medium	4	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	0	quinolines
hispidin	[no description available]	medium	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	1	0
demeclocycline hydrochloride	[no description available]	medium	1	0
acyclovir	[no description available]	medium	3	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	0	sepiapterin
isoxanthopterin	[no description available]	medium	1	0	dihydroxypteridine
clozapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
ganciclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	1	0	triazolopyrimidines
allopurinol	[no description available]	medium	2	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1	0
2,4-diaminohypoxanthine	[no description available]	medium	1	0	hydroxypyrimidine
quazinone	[no description available]	medium	1	0
8-bromocyclic gmp, sodium salt	[no description available]	medium	1	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	1	0
bupropion	[no description available]	medium	2	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
bremazocine	[no description available]	medium	1	0
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	12	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetaminophen	[no description available]	medium	12	3	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
alminoprofen	[no description available]	high	1	0	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
alprenolol	[no description available]	medium	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amfenac	[no description available]	medium	1	0	amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
amiodarone	[no description available]	medium	1	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
antipyrine	[no description available]	medium	1	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
verapamil	[no description available]	medium	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
chlorpromazine	[no description available]	medium	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofloxacin	[no description available]	medium	1	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cisapride	[no description available]	medium	1	0	benzamides
clonidine	[no description available]	medium	2	0	clonidine; imidazoline
desipramine	[no description available]	medium	1	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
nordazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac	[no description available]	high	16	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
diclofenac	[no description available]	high	16	5	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
fenoprofen	[no description available]	high	2	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fexofenadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fleroxacin	[no description available]	medium	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
fluconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flurbiprofen	[no description available]	high	6	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flurbiprofen	[no description available]	high	6	2	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lidocaine	[no description available]	medium	1	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
imipramine	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ketorolac	[no description available]	high	2	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
ketorolac	[no description available]	high	2	1	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
metoprolol	[no description available]	medium	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
nevirapine	[no description available]	medium	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
ondansetron	[no description available]	medium	1	0	carbazoles
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxprenolol	[no description available]	medium	1	0	aromatic ether
phenacetin	[no description available]	medium	1	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
practolol	[no description available]	medium	1	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
pyranoprofen	[no description available]	medium	3	0	pyridochromene
pyranoprofen	[no description available]	medium	3	1	pyridochromene
prazosin	[no description available]	medium	1	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
probenecid	[no description available]	medium	1	0	benzoic acids; sulfonamide	uricosuric drug
propantheline	[no description available]	medium	1	0	xanthenes
propranolol	[no description available]	medium	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
ranitidine	[no description available]	medium	1	0	aralkylamine
sotalol	[no description available]	medium	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	2	0
sumatriptan	[no description available]	medium	1	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
terbutaline	[no description available]	medium	1	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tiaprofenic acid	[no description available]	high	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
tranexamic acid	[no description available]	medium	1	0	amino acid
cn 100	[no description available]	medium	1	0	organic molecular entity
penicillin g	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
chloramphenicol	[no description available]	medium	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aminopyrine	[no description available]	medium	1	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
mannitol	[no description available]	medium	1	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
phencyclidine	[no description available]	medium	1	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
taurocholic acid	[no description available]	medium	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
methylprednisolone	[no description available]	medium	3	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
penicillin v	[no description available]	medium	1	0	penicillin allergen; penicillin
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
erythromycin	[no description available]	medium	1	0	cyclic ketone; erythromycin
guanoxan	[no description available]	medium	1	0	benzodioxine
olsalazine	[no description available]	medium	1	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
cephalexin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
amoxicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
sq-11725	[no description available]	medium	1	0
diltiazem	[no description available]	medium	1	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
tiotidine	[no description available]	medium	1	0	thiazoles
alfentanil	[no description available]	medium	1	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
pravastatin	[no description available]	medium	1	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
5-propynylarabinofuranosyluracil	[no description available]	medium	1	0
mibefradil	[no description available]	medium	1	0	tetralins	T-type calcium channel blocker
tenidap	[no description available]	medium	1	0
befloxatone	[no description available]	medium	1	0
ziprasidone	[no description available]	medium	1	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
trovafloxacin	[no description available]	medium	1	0
telmisartan	[no description available]	medium	1	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
ibuproxam	[no description available]	medium	1	0	hydroxamic acid	iron chelator; non-narcotic analgesic; non-steroidal anti-inflammatory drug
n-methylscopolamine	[no description available]	medium	1	0
aceclofenac	[no description available]	high	1	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluparoxan	[no description available]	medium	1	0
nicotine	[no description available]	medium	1	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
glycylsarcosine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide
bosentan anhydrous	[no description available]	medium	1	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
indobufen	[no description available]	medium	1	0	isoindoles
naproxen	[no description available]	high	2	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
quinidine	[no description available]	medium	1	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
griseofulvin	[no description available]	medium	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
saquinavir	[no description available]	medium	1	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
propylthiouracil	[no description available]	medium	1	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
digoxin	[no description available]	medium	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
tamoxifen	[no description available]	medium	1	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
raclopride	[no description available]	medium	1	0	salicylamides
olopatadine	[no description available]	medium	1	0
acrivastine	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
ly 163892	[no description available]	medium	1	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
naloxone	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
proscillaridin	[no description available]	medium	1	0	organic molecular entity
morphine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
lisinopril	[no description available]	medium	1	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
enalapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
cefuroxime	[no description available]	medium	1	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	1	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
guanabenz	[no description available]	medium	1	0	dichlorobenzene
ro 42-5892	[no description available]	medium	1	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
cefatrizine	[no description available]	medium	1	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
tiacrilast	[no description available]	medium	1	0
scopolamine hydrobromide	[no description available]	medium	1	0
mobic	[no description available]	medium	4	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobic	[no description available]	medium	4	3	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	2	0	benzenes; hydroxycoumarin; methyl ketone
valacyclovir	[no description available]	medium	3	0	L-valyl ester	antiviral drug
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
celecoxib	[no description available]	medium	24	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
celecoxib	[no description available]	medium	24	10	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
platinum	[no description available]	medium	1	0	elemental platinum; nickel group element atom; platinum group metal atom
opc 12759	[no description available]	medium	1	0	secondary carboxamide
alanine	[no description available]	medium	1	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
europium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
s 1108	[no description available]	medium	1	0
cephalosporin c	[no description available]	medium	1	0	cephalosporin	fungal metabolite
lactic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
fumaric acid	[no description available]	medium	1	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
fumarates	[no description available]	medium	1	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
clonixin	[no description available]	medium	1	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
tizanidine	[no description available]	medium	1	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
dinoprostone	[no description available]	medium	15	3	prostaglandins E	human metabolite; mouse metabolite; oxytocic
propionic acid	[no description available]	medium	3	0	saturated fatty acid; short-chain fatty acid	antifungal drug
potassium iodide	[no description available]	medium	1	0	potassium salt	expectorant; radical scavenger
mefenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
chitosan	[no description available]	medium	2	0
s 1743	[no description available]	medium	1	1	magnesium salt	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
thiazoles	[no description available]	medium	3	3	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
azuletil sodium	[no description available]	medium	1	0	organic sodium salt; organosulfonate salt	anti-ulcer drug; thromboxane A2 antagonist
ticlopidine	[no description available]	medium	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
mocetinostat	[no description available]	medium	3	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
seratrodast	[no description available]	medium	1	0	organic molecular entity
sesquiterpenes	[no description available]	medium	1	0
prednisolone	[no description available]	medium	6	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
technetium tc 99m mertiatide	[no description available]	medium	1	0
fluvoxamine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
sodium glutamate	[no description available]	medium	2	0	monosodium glutamate	flavouring agent
cinacalcet	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
glutamyl-valyl-glycine	[no description available]	medium	1	0	peptide
glycine	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
valine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
omeprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
isopropyl myristate	[no description available]	medium	1	0	fatty acid ester
pregabalin	[no description available]	medium	2	1	gamma-amino acid	anticonvulsant; calcium channel blocker
4-toluic acid	[no description available]	medium	1	0	methylbenzoic acid
cellulose	[no description available]	medium	1	0	glycoside
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
tramadol	[no description available]	medium	2	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
nabumetone	[no description available]	medium	1	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
timiperone	[no description available]	medium	1	0	aromatic ketone
dolasetron	[no description available]	medium	1	0	indolyl carboxylic acid
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
tiaramide	[no description available]	medium	1	0	benzothiazoles
cyclosporine	[no description available]	medium	1	0
titanium	[no description available]	medium	1	0	titanium group element atom
titanium dioxide	[no description available]	medium	1	0	titanium oxides	food colouring
lomerizine	[no description available]	medium	1	0	diarylmethane
methimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
levofloxacin	[no description available]	medium	2	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
cyclopentane	[no description available]	medium	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
lornoxicam	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
vitamin b 12	[no description available]	medium	1	0
pentazocine	[no description available]	medium	1	0	benzazocine
rabeprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
zithromax	[no description available]	medium	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
lafutidine	[no description available]	medium	2	1	organic molecular entity
16,16-dimethylprostaglandin e2	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol	anti-ulcer drug; gastrointestinal drug; radiation protective agent
piperidines	[no description available]	medium	2	1
ampicillin	[no description available]	medium	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
capsaicin	[no description available]	medium	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
geranylgeranylacetone	[no description available]	medium	1	0
adenosine diphosphate	[no description available]	medium	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
thromboxane b2	[no description available]	medium	2	0	thromboxanes B	human metabolite; mouse metabolite
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
rifampin	[no description available]	medium	1	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
ethambutol	[no description available]	medium	1	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
isoniazid	[no description available]	medium	1	0	carbohydrazide	antitubercular agent; drug allergen
duloxetine hydrochloride	[no description available]	medium	1	0	duloxetine hydrochloride	antidepressant
oxycodone	[no description available]	medium	1	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
ropivacaine	[no description available]	medium	1	1	piperidinecarboxamide; ropivacaine	local anaesthetic
fentanyl	[no description available]	medium	1	1	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
misoprostol	[no description available]	medium	1	0
uric acid	[no description available]	medium	2	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
ampiroxicam	[no description available]	medium	2	0	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
ampiroxicam	[no description available]	medium	2	1	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
dehydroepiandrosterone sulfate	[no description available]	medium	1	1	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
17-ketosteroids	[no description available]	medium	1	1
limaprost	[no description available]	medium	1	0	long-chain fatty acid
alpha-cyclodextrin	[no description available]	medium	1	0	cyclodextrin
alprostadil	[no description available]	medium	2	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
butaprost	[no description available]	medium	1	0
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	medium	2	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
ah 6809	[no description available]	medium	1	0	xanthones
dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-acetylhydrazide	[no description available]	medium	1	0
calpain	[no description available]	medium	1	0
acetic acid	[no description available]	medium	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
formaldehyde	[no description available]	medium	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
etidronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
fluorodeoxyglucose f18	[no description available]	medium	1	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
iodofiltic acid	[no description available]	medium	1	0
ono 8711	[no description available]	medium	1	0
biphenylylacetic acid	[no description available]	medium	1	0
indomethacin farnesil	[no description available]	medium	1	0	N-acylindole
befunolol	[no description available]	medium	1	0	benzofurans
moperone	[no description available]	medium	1	0	aromatic ketone
levobunolol	[no description available]	medium	1	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
imidazolidines	[no description available]	medium	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
proglumetacin	[no description available]	medium	1	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
proglumetacin	[no description available]	medium	1	1	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
6-ketoprostaglandin f1 alpha	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite; mouse metabolite
nadp	[no description available]	medium	1	0
hydrogen	[no description available]	medium	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
acemetacin	[no description available]	medium	0	0	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
ampyrone	[no description available]	low	0	0	primary amino compound; pyrazolone	antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
amlexanox	[no description available]	medium	0	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amodiaquine	[no description available]	low	0	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
acetovanillone	[no description available]	low	0	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bendazac	[no description available]	medium	0	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
bufexamac	[no description available]	low	0	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
carprofen	[no description available]	low	0	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
clofazimine	[no description available]	low	0	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
diflunisal	[no description available]	low	0	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
4-biphenylylacetic acid	[no description available]	medium	0	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fenbufen	[no description available]	low	0	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
flufenamic acid	[no description available]	low	0	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
glafenine	[no description available]	low	0	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
indoprofen	[no description available]	medium	0	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
propyphenazone	[no description available]	low	0	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
kebuzone	[no description available]	low	0	0	methyl ketone; pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
meclofenamic acid	[no description available]	low	0	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
mesalamine	[no description available]	medium	0	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metiazinic acid	[no description available]	low	0	0	phenothiazines	drug allergen; non-steroidal anti-inflammatory drug
oxyphenbutazone	[no description available]	low	0	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
salicylsalicylic acid	[no description available]	low	0	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
suprofen	[no description available]	medium	0	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suxibuzone	[no description available]	medium	0	0	hemisuccinate; monocarboxylic acid; pyrazolidines	antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug
tolmetin	[no description available]	medium	0	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
zomepirac	[no description available]	medium	0	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
noramidopyrine	[no description available]	low	0	0	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug
2-methoxybenzoic acid	[no description available]	low	0	0	methoxybenzoic acid	flavouring agent; non-steroidal anti-inflammatory drug
benzydamine	[no description available]	low	0	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
ibufenac	[no description available]	medium	0	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
mofebutazone	[no description available]	low	0	0	pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
acetosyringone	[no description available]	low	0	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bumadizone	[no description available]	medium	0	0	carbohydrazide; monocarboxylic acid	antipyretic; non-steroidal anti-inflammatory drug
apazone	[no description available]	low	0	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
alclofenac	[no description available]	medium	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
oxamethacin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin	[no description available]	low	0	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin meglumine	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
benoxaprofen	[no description available]	medium	0	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
fendosal	[no description available]	low	0	0	benzoindole; monohydroxybenzoic acid; pyrroles	non-narcotic analgesic; non-steroidal anti-inflammatory drug
nedocromil	[no description available]	low	0	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
tepoxalin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
adapalene	[no description available]	medium	0	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
zileuton	[no description available]	low	0	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
bromfenac	[no description available]	low	0	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenoprofen calcium	[no description available]	low	0	0	hydrate	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
baicalin	[no description available]	low	0	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
droxicam	[no description available]	low	0	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
lonazolac	[no description available]	medium	0	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
miroprofen	[no description available]	medium	0	0	imidazopyridine; monocarboxylic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
flunoxaprofen	[no description available]	medium	0	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
corilagin	[no description available]	low	0	0	ellagitannin; gallate ester	antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug
eletriptan	[no description available]	low	0	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
difenpiramide	[no description available]	low	0	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
nitroflurbiprofen	[no description available]	low	0	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
valdecoxib	[no description available]	low	0	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parecoxib	[no description available]	low	0	0	isoxazoles; N-sulfonylcarboxamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
almotriptan	[no description available]	low	0	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
mk 0663	[no description available]	low	0	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
garenoxacin	[no description available]	low	0	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
nepafenac	[no description available]	low	0	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
cox 189	[no description available]	medium	0	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
firocoxib	[no description available]	low	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cimicoxib	[no description available]	low	0	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicin	[no description available]	low	0	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
tolfenamic acid	[no description available]	low	0	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dexketoprofen	[no description available]	medium	0	0	benzophenones; monocarboxylic acid	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxol	[no description available]	low	0	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
deracoxib	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lysine clonixinate	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
apigetrin	[no description available]	low	0	0	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug
caryophyllene	[no description available]	low	0	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
rosmarinic acid	[no description available]	medium	0	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
sulindac sulfide	[no description available]	medium	0	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
bay 11-7082	[no description available]	low	0	0	nitrile; sulfone	apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
robenacoxib	[no description available]	medium	0	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parthenolide	[no description available]	low	0	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate	[no description available]	low	0	0	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
apremilast	[no description available]	low	0	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
sodium bromfenac	[no description available]	low	0	0	hydrate	non-narcotic analgesic; non-steroidal anti-inflammatory drug
meclofenamate sodium anhydrous	[no description available]	low	0	0	hydrate	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
tolmetin sodium	[no description available]	low	0	0	hydrate; organic sodium salt	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
naproxen sodium	[no description available]	low	0	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
an2728	[no description available]	low	0	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid	[no description available]	low	0	0	organofluorine compound	non-steroidal anti-inflammatory drug
mobiflex	[no description available]	low	0	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
isoxicam	[no description available]	low	0	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
teriflunomide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor
dimethyl sulfoxide	[no description available]	low	0	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
amantadine	[no description available]	low	0	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
dipyrone	[no description available]	low	0	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
methoxyflurane	[no description available]	low	0	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
phenazopyridine	[no description available]	low	0	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
salicylamide	[no description available]	low	0	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
2-thiosalicylic acid	[no description available]	low	0	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
ergotamine	[no description available]	low	0	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
phenazopyridine hydrochloride	[no description available]	low	0	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
dihydroergotamine	[no description available]	low	0	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
3-hydroxyacetanilide	[no description available]	low	0	0	acetamides; phenols	non-narcotic analgesic
dronabinol	[no description available]	low	0	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
methotrimeprazine	[no description available]	low	0	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
tetrahydropalmatine	[no description available]	low	0	0	an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound	adrenergic agent; dopaminergic antagonist; non-narcotic analgesic
friedelin	[no description available]	low	0	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
dipyrone	[no description available]	low	0	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
quinine	[no description available]	low	0	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
dexmedetomidine	[no description available]	low	0	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
solasodine	[no description available]	low	0	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent
6-methoxy-2-naphthylacetic acid	[no description available]	medium	0	0	methoxynaphthalene; monocarboxylic acid	drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; xenobiotic metabolite
tricin	[no description available]	low	0	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
aiphanol	[no description available]	low	0	0	aromatic ether; benzodioxine; lignan; stilbenoid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	[no description available]	low	0	0	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
aminolevulinic acid	[no description available]	low	0	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
uracil	[no description available]	low	0	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
chlorazepate	[no description available]	low	0	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
dacarbazine	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug
dipivefrin	[no description available]	low	0	0	ethanolamines; pivalate ester	adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent
etanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
brl 42810	[no description available]	low	0	0	2-aminopurines; acetate ester	antiviral drug; prodrug
flucytosine	[no description available]	low	0	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluphenazine depot	[no description available]	low	0	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
midodrine	[no description available]	low	0	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
nitroglycerin	[no description available]	low	0	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
4-phenylbutyric acid	[no description available]	medium	0	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
4-phenylbutyric acid, sodium salt	[no description available]	low	0	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
tazarotene	[no description available]	low	0	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
temozolomide	[no description available]	low	0	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
prednisone	[no description available]	low	0	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
tributyrin	[no description available]	low	0	0	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent
mestranol	[no description available]	low	0	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
1,4-butanediol	[no description available]	low	0	0	butanediol; glycol	neurotoxin; prodrug; protic solvent
lucanthone	[no description available]	low	0	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
psilocybin	[no description available]	low	0	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
azaribine	[no description available]	low	0	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
diloxanide furoate	[no description available]	low	0	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
pn 401	[no description available]	low	0	0	acetate ester; uridines	neuroprotective agent; orphan drug; prodrug
beclomethasone dipropionate	[no description available]	low	0	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
ancitabine	[no description available]	low	0	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
fludarabine phosphate	[no description available]	low	0	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
carbimazole	[no description available]	low	0	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
pivampicillin	[no description available]	low	0	0	penicillanic acid ester; pivaloyloxymethyl ester	prodrug
bitolterol	[no description available]	low	0	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
lovastatin	[no description available]	low	0	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
simvastatin	[no description available]	low	0	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
bambuterol hydrochloride	[no description available]	low	0	0	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent
bambuterol	[no description available]	low	0	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
quinapril	[no description available]	low	0	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
cilazapril, anhydrous	[no description available]	low	0	0	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gemcitabine	[no description available]	low	0	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
lamivudine	[no description available]	low	0	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
irinotecan	[no description available]	low	0	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
adefovir dipivoxil	[no description available]	low	0	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	low	0	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
oseltamivir	[no description available]	low	0	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
lenampicillin	[no description available]	low	0	0	ketene acetal; penicillanic acid ester	prodrug
talampicillin	[no description available]	low	0	0	penicillanic acid ester	prodrug
prednisolone phosphate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug
irinotecan hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
benzoylmetronidazole	[no description available]	low	0	0	benzoate ester	antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; prodrug
zofenopril	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
droxidopa	[no description available]	low	0	0	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent
fingolimod hydrochloride	[no description available]	low	0	0	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
fingolimod	[no description available]	low	0	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
amdinocillin pivoxil	[no description available]	low	0	0	penicillanic acid ester; penicillin; pivaloyloxymethyl ester	antibacterial drug; antiinfective agent; prodrug
aminolevulinic acid hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
cefotiam hexetil	[no description available]	low	0	0	carboxylic ester	prodrug
fosamprenavir	[no description available]	low	0	0	sulfonamide	prodrug
cyc 682	[no description available]	low	0	0	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug
methyl 5-aminolevulinate hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
methyl 5-aminolevulinate	[no description available]	low	0	0	delta-amino acid ester	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
clorazepate dipotassium	[no description available]	low	0	0	potassium salt	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
dabigatran etexilate	[no description available]	low	0	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug
fosfluconazole	[no description available]	low	0	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
2-hydroxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
bacampicillin	[no description available]	low	0	0	penicillanic acid ester	prodrug
tiazofurin	[no description available]	low	0	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
rubitecan	[no description available]	low	0	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
ethionamide	[no description available]	low	0	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
nelarabine	[no description available]	low	0	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
amrubicin	[no description available]	low	0	0	anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes	antineoplastic agent; prodrug; topoisomerase II inhibitor
mycophenolate mofetil	[no description available]	low	0	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
uf 021	[no description available]	low	0	0	isopropyl ester; ketone; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; prodrug
travoprost	[no description available]	low	0	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
codeine	[no description available]	low	0	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
latanoprost	[no description available]	low	0	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
spirapril	[no description available]	low	0	0	azaspiro compound; dicarboxylic acid monoester; dipeptide; dithioketal; ethyl ester; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
dextromethorphan	[no description available]	low	0	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
benazepril	[no description available]	low	0	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
ramipril	[no description available]	low	0	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
enalapril maleate	[no description available]	low	0	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
heroin	[no description available]	low	0	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
ximelagatran	[no description available]	low	0	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
trandolapril	[no description available]	low	0	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
tenofovir disoproxil fumarate	[no description available]	low	0	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
cefditoren pivoxil	[no description available]	low	0	0	1,3-thiazoles; cephams; oxime O-ether; pivaloyloxymethyl ester	antibacterial drug; prodrug
dirithromycin	[no description available]	low	0	0	macrolide antibiotic	prodrug
cefpodoxime proxetil	[no description available]	low	0	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
gs-7340	[no description available]	low	0	0	6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
abiraterone acetate	[no description available]	low	0	0	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug
ppi-0903	[no description available]	low	0	0	1,3-thiazoles; cephalosporin; iminium betaine; organic phosphoramidate; oxime O-ether; thiadiazoles	antibacterial drug; antimicrobial agent; prodrug
fluticasone furoate	[no description available]	low	0	0	11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester	anti-allergic agent; anti-asthmatic drug; prodrug
varespladib methyl	[no description available]	low	0	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug
selexipag	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent
jte 607	[no description available]	low	0	0	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug
penamecillin	[no description available]	low	0	0	penicillanic acid ester; semisynthetic derivative	antibacterial drug; prodrug
etc-1002	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; prodrug
rx-3117	[no description available]	low	0	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
tedizolid phosphate	[no description available]	low	0	0	carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles	antimicrobial agent; prodrug; protein synthesis inhibitor
azd 1152	[no description available]	low	0	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
brl 15572	[no description available]	low	0	0	hydrochloride	prodrug; serotonergic antagonist
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide	[no description available]	low	0	0	hydrobromide	dopamine agonist; prodrug
methylprednisolone suleptanate	[no description available]	low	0	0	organic sodium salt	anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug
cefamandole nafate	[no description available]	low	0	0	organic sodium salt	antibacterial drug; prodrug
sofosbuvir	[no description available]	low	0	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
ML-210	[no description available]	low	0	0	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug
aripiprazole lauroxil	[no description available]	low	0	0	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist
cgs 12066b	[no description available]	low	0	0	maleate salt	prodrug; serotonergic agonist
s 8932	[no description available]	low	0	0	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug
tak 491	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug
valganciclovir	[no description available]	low	0	0	L-valyl ester; purines	antiviral drug; prodrug
fosaprepitant	[no description available]	low	0	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles	antiemetic; neurokinin-1 receptor antagonist; prodrug
molnupiravir	[no description available]	low	0	0	isopropyl ester; ketoxime; nucleoside analogue	anticoronaviral agent; antiviral drug; prodrug
PF-07304814	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug
dihydro-3-coumaric acid	[no description available]	low	0	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite
3-phenylpropionic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
2-(3-pyridine)acetic acid	[no description available]	low	0	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
formic acid	[no description available]	low	0	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
aminooxyacetic acid	[no description available]	low	0	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
4-oxo-4-(3-pyridyl)butanoic acid	[no description available]	low	0	0	aromatic ketone; monocarboxylic acid; pyridines
gamma-guanidinobutyric acid	[no description available]	low	0	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
1-aminocyclopropane-1-carboxylic acid	[no description available]	low	0	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
5,6-dihydroorotate	[no description available]	low	0	0	monocarboxylic acid; N-acylurea; pyrimidinemonocarboxylic acid; secondary amide
hydantoin-5-propionic acid	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
indoleacetic acid	[no description available]	low	0	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
melilotic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite
phenylacetic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
phosphoenolpyruvate	[no description available]	low	0	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
4-(2,4-dichlorophenoxy)butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
alpha-methyl-m-tyrosine	[no description available]	low	0	0	monocarboxylic acid
aristolochic acid i	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
metrizoate	[no description available]	low	0	0	monocarboxylic acid	radioopaque medium
carbidopa	[no description available]	low	0	0	benzenes; monocarboxylic acid
cetirizine	[no description available]	low	0	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cetraxate	[no description available]	low	0	0	benzenes; monocarboxylic acid
chrysanthemic acid	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid	plant metabolite
clofibric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
enoxacin	[no description available]	low	0	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
ethacrynic acid	[no description available]	low	0	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ici 204448	[no description available]	low	0	0	monocarboxylic acid
iopanoic acid	[no description available]	low	0	0	monocarboxylic acid
meclofenoxate	[no description available]	low	0	0	monocarboxylic acid
sarkolysin	[no description available]	low	0	0	monocarboxylic acid
nalidixic acid	[no description available]	low	0	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
oxonic acid	[no description available]	low	0	0	1,3,5-triazines; monocarboxylic acid
oxyphencyclimine	[no description available]	low	0	0	monocarboxylic acid
pipemidic acid	[no description available]	low	0	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piromidic acid	[no description available]	low	0	0	monocarboxylic acid; pyridopyrimidine; pyrrolidines; quinolone antibiotic; tertiary amino compound	antibacterial drug; DNA synthesis inhibitor
SU5402	[no description available]	low	0	0	monocarboxylic acid; oxindoles; pyrroles	fibroblast growth factor receptor antagonist
tosufloxacin	[no description available]	low	0	0	1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound
tyropanoate	[no description available]	low	0	0	benzenes; monocarboxylic acid
trichloroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
dichloroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
bis(p-chlorophenyl)acetic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes
2-phenylbutyric acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	human xenobiotic metabolite
mecoprop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
fenoprop	[no description available]	low	0	0	monocarboxylic acid	phenoxy herbicide
piperonylic acid	[no description available]	low	0	0	aromatic carboxylic acid; benzodioxoles; monocarboxylic acid	antifungal agent; EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor; plant metabolite; vulnerary
2-methyl-4-chlorophenoxy gamma-butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic
iophenoxic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
2-methylvaleric acid	[no description available]	low	0	0	branched-chain saturated fatty acid; methyl-branched fatty acid; monocarboxylic acid; short-chain fatty acid	flavouring agent; fragrance; plant metabolite
cyclohexanecarboxylic acid	[no description available]	low	0	0	monocarboxylic acid
diphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid	xenobiotic metabolite
dichlorprop	[no description available]	low	0	0	aromatic ether; dichlorobenzene; monocarboxylic acid
amprotropine	[no description available]	low	0	0	monocarboxylic acid
cyanoacetic acid	[no description available]	low	0	0	monocarboxylic acid
difluoroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organofluorine compound
5-methylpyrazole-3-carboxylic acid	[no description available]	low	0	0	monocarboxylic acid; pyrazoles	metabolite
hydantoic acid	[no description available]	low	0	0	monocarboxylic acid; N-acylglycine; ureas	rat metabolite; xenobiotic metabolite
abietic acid	[no description available]	low	0	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
3,5-dibromotyrosine	[no description available]	low	0	0	monocarboxylic acid
3-aminobutyric acid	[no description available]	low	0	0	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite
4-carboxybenzaladehyde	[no description available]	low	0	0	benzaldehydes; benzoic acids; monocarboxylic acid	plant metabolite
3-hydroxybenzeneacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	human xenobiotic metabolite
methoxyacetic acid	[no description available]	low	0	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
dibromoacetic acid	[no description available]	low	0	0	2-bromocarboxylic acid; monocarboxylic acid	apoptosis inducer; geroprotector; marine metabolite
hadacidin	[no description available]	low	0	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
3-hydroxypicolinic acid	[no description available]	low	0	0	monocarboxylic acid; monohydroxypyridine	MALDI matrix material
dihydroferulic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
cyclopropanecarboxylic acid	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid
(4-tert-Butyl-phenoxy)-acetic acid	[no description available]	low	0	0	monocarboxylic acid
3-methoxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid
4-chlorophenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes	xenobiotic metabolite
4-hydroxyphenoxyacetic acid	[no description available]	low	0	0	monocarboxylic acid
5-phenylvaleric acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
2-(4-chlorophenoxy)propionic acid	[no description available]	low	0	0	monocarboxylic acid	phenoxy herbicide
phenoxyacetic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
nafenopin	[no description available]	low	0	0	aromatic ether; monocarboxylic acid
3-phenylbutyric acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	antibacterial agent; bacterial xenobiotic metabolite
ochratoxin b	[no description available]	low	0	0	isochromanes; monocarboxylic acid; N-acyl-L-phenylalanine; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; mycotoxin; Penicillium metabolite
cyclohexaneacetic acid	[no description available]	low	0	0	monocarboxylic acid
glucoheptonate	[no description available]	low	0	0	carbohydrate acid; monocarboxylic acid	metabolite
7-aminodesacetoxycephalosporanic acid	[no description available]	low	0	0	cephalosporin; monocarboxylic acid
carbidopa	[no description available]	low	0	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
butyl(3-carboxypropyl)nitrosamine	[no description available]	low	0	0	monocarboxylic acid; nitrosamine	carcinogenic agent
ticrynafen	[no description available]	low	0	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; monocarboxylic acid
bezafibrate	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	low	0	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
triclopyr	[no description available]	low	0	0	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic
acifluorfen	[no description available]	low	0	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	[no description available]	low	0	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
haloxyfop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
pefloxacin	[no description available]	low	0	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
imazaquin	[no description available]	low	0	0	imidazolone; monocarboxylic acid; quinolinemonocarboxylic acid
difloxacin	[no description available]	low	0	0	fluoroquinolone antibiotic; monocarboxylic acid; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; Mycoplasma genitalium metabolite
brequinar	[no description available]	low	0	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
temafloxacin	[no description available]	low	0	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
valsartan	[no description available]	low	0	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
fenofibric acid	[no description available]	low	0	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
salvin	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
etofibrate	[no description available]	low	0	0	monocarboxylic acid
fradafiban	[no description available]	low	0	0	carboxamidine; monocarboxylic acid; pyrrolidin-2-ones	platelet glycoprotein-IIb/IIIa receptor antagonist
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
tianeptine	[no description available]	low	0	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
binifibrate	[no description available]	low	0	0	monocarboxylic acid
5-imidazolepropionic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid
gr 117289	[no description available]	low	0	0	1-benzofurans; biaryl; imidazolyl carboxylic acid; monocarboxylic acid; organobromine compound; organochlorine compound; tetrazoles	angiotensin receptor antagonist; antihypertensive agent
alborixin	[no description available]	low	0	0	cyclic hemiketal; monocarboxylic acid; oxolanes; polyether antibiotic	ionophore
madecassic acid	[no description available]	low	0	0	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite
monotropein	[no description available]	low	0	0	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite
3-(3,4-dimethoxyphenyl)propanoic acid	[no description available]	low	0	0	dimethoxybenzene; monocarboxylic acid
n-methylhippuric acid	[no description available]	low	0	0	monocarboxylic acid; N-acylglycine	EC 1.1.1.21 (aldehyde reductase) inhibitor
methylimidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	GABA agonist; metabolite
6-carboxyfluorescein	[no description available]	low	0	0	monocarboxylic acid
4-(2-thienyl)butyric acid	[no description available]	low	0	0	monocarboxylic acid; thiophenes	hapten
3-(trimethylsilyl)propionic acid	[no description available]	low	0	0	monocarboxylic acid; organosilicon compound	NMR chemical shift reference compound
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
ritalinic acid	[no description available]	low	0	0	monocarboxylic acid; piperidines	drug metabolite; marine xenobiotic metabolite
indole-1-acetic acid	[no description available]	low	0	0	indolyl carboxylic acid; monocarboxylic acid
(1-hydroxycyclopentyl)phenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; tertiary alcohol
fluazifop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines
quinclorac	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound; quinolinemonocarboxylic acid	agrochemical; herbicide; synthetic auxin
gypsogenin	[no description available]	low	0	0	aldehyde; monocarboxylic acid; pentacyclic triterpenoid; sapogenin
beta-hydroxyphenylpropionic acid	[no description available]	low	0	0	3-hydroxy carboxylic acid; monocarboxylic acid
salicylamide-2-acetic acid	[no description available]	low	0	0	monocarboxylic acid
dehydroabietic acid	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
2,6-dichloroisonicotinic acid	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound; pyridines	EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor
1-phenazinecarboxylic acid	[no description available]	low	0	0	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
imidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid	[no description available]	low	0	0	imidothioate; monocarboxylic acid
alpha-methylphenylalanine	[no description available]	low	0	0	benzenes; monocarboxylic acid
aristolochic acid ii	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
4'-hydroxydiclofenac	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
asiatic acid	[no description available]	low	0	0	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
bw 245c	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid; secondary alcohol
piscidic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
mitiglinide	[no description available]	low	0	0	benzenes; monocarboxylic acid
celastrol	[no description available]	low	0	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
4-carboxyfluorescein	[no description available]	low	0	0	monocarboxylic acid	fluorochrome
vadimezan	[no description available]	low	0	0	monocarboxylic acid; xanthones	antineoplastic agent
ectoine	[no description available]	low	0	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; monocarboxylic acid; zwitterion	osmolyte
chrysobactin	[no description available]	low	0	0	catechols; dipeptide; monocarboxylic acid; primary alcohol; primary amino compound	bacterial metabolite; siderophore
cd 437	[no description available]	low	0	0	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist
agn 190299	[no description available]	low	0	0	monocarboxylic acid; pyridines; retinoid; thiochromane	keratolytic drug; teratogenic agent
3-bromotyrosine	[no description available]	low	0	0	monocarboxylic acid
varespladib	[no description available]	low	0	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
clofibride	[no description available]	low	0	0	monocarboxylic acid
carbazic acid	[no description available]	low	0	0	monocarboxylic acid; one-carbon compound
endocrocin	[no description available]	low	0	0	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite
3,5-diiodothyropropionic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols
aristolochic acid D	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
3,5-dihydroxyphenylpropionic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
acetyl aleuritolic acid	[no description available]	low	0	0	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite
fukiic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
delta-1-piperidine-6-carboxylic acid	[no description available]	low	0	0	monocarboxylic acid; tetrahydropyridine	mammalian metabolite
aristolochic acid c	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
3-hydroxy-5-cholestenoic acid	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; monocarboxylic acid; steroid acid	bacterial metabolite
enrasentan	[no description available]	low	0	0	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist
quizalofop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative
9-mercaptodethiobiotin	[no description available]	low	0	0	imidazolidinone; monocarboxylic acid; thiol; ureas	Escherichia coli metabolite
proclavaminic acid	[no description available]	low	0	0	amino acid zwitterion; azetidines; monocarboxylic acid
orantinib	[no description available]	low	0	0	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
deferasirox	[no description available]	low	0	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
sandaracopimaric acid	[no description available]	low	0	0	monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid	plant metabolite
7-methoxycoumarin-4-acetic acid	[no description available]	low	0	0	monocarboxylic acid	fluorochrome
monensin	[no description available]	low	0	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
isopimaric acid	[no description available]	low	0	0	carbotricyclic compound; diterpenoid; monocarboxylic acid
nanaomycin a	[no description available]	low	0	0	benzoisochromanequinone; monocarboxylic acid; organooxygen heterocyclic antibiotic; p-quinones	bacterial metabolite
theogallin	[no description available]	low	0	0	gallate ester; monocarboxylic acid; tertiary alcohol
bispyribac	[no description available]	low	0	0	aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines	herbicide
pyochelin	[no description available]	low	0	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
yersiniabactin	[no description available]	low	0	0	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore
mycophenolic acid	[no description available]	low	0	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
mupirocin	[no description available]	low	0	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
gw 409544	[no description available]	low	0	0	monocarboxylic acid
steviol	[no description available]	low	0	0	bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid	antineoplastic agent
bevirimat	[no description available]	low	0	0	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite
bromochloroacetic acid	[no description available]	low	0	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
neurosporaxanthin	[no description available]	low	0	0	apo carotenoid C35 terpenoid; monocarboxylic acid
canrenoic acid	[no description available]	low	0	0	3-oxo-Delta(4) steroid; monocarboxylic acid; steroid acid
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester	[no description available]	low	0	0	monocarboxylic acid
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester	[no description available]	low	0	0	monocarboxylic acid
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid	[no description available]	low	0	0	monocarboxylic acid
epalrestat	[no description available]	low	0	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester	[no description available]	low	0	0	monocarboxylic acid
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester	[no description available]	low	0	0	monocarboxylic acid
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester	[no description available]	low	0	0	monocarboxylic acid
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester	[no description available]	low	0	0	monocarboxylic acid
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
olivetolic acid	[no description available]	low	0	0	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester	[no description available]	low	0	0	monocarboxylic acid
helvolic acid	[no description available]	low	0	0	3-oxo-Delta(1) steroid; acetate ester; monocarboxylic acid; steroid acid	antibacterial agent; fungal metabolite; mycotoxin
6-oxopiperidine-2-carboxylate	[no description available]	low	0	0	delta-lactam; monocarboxylic acid	bacterial metabolite
3-sulfinopropionic acid	[no description available]	low	0	0	monocarboxylic acid; organosulfinic acid
amibegron	[no description available]	low	0	0	monocarboxylic acid
ifetroban	[no description available]	low	0	0	benzenes; monocarboxylic acid
chuangxinmycin	[no description available]	low	0	0	indole alkaloid; monocarboxylic acid; thiinoindole	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
5-hydroxydiclofenac	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
2-oxindole-3-acetic acid	[no description available]	low	0	0	indole-3-acetic acids; monocarboxylic acid; oxindoles	plant metabolite
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine	[no description available]	low	0	0	adenosines; dicarboxylic acid monoamide; monocarboxylic acid	adenosine A2A receptor agonist; anti-inflammatory agent
3-phenyl-3-(1-tetrazolyl)propanoic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid
l 663536	[no description available]	low	0	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
clopidogrel carboxylic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; tertiary amino compound; thienopyridine	drug metabolite; marine xenobiotic metabolite
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid	[no description available]	low	0	0	gamma-lactone; monocarboxylic acid; tetrahydrofuranone
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid	[no description available]	low	0	0	monocarboxylic acid
sm 21	[no description available]	low	0	0	monocarboxylic acid
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester	[no description available]	low	0	0	monocarboxylic acid
dinoprost	[no description available]	low	0	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
montelukast	[no description available]	low	0	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
sofalcone	[no description available]	low	0	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
iloprost	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
13,14-dihydroretinoic acid	[no description available]	low	0	0	monocarboxylic acid; retinoid
lasalocid	[no description available]	low	0	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
clodinafop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide
sdz eaa 494	[no description available]	low	0	0	monocarboxylic acid; olefinic compound; phosphonic acids; piperazinecarboxylic acid; tertiary amino compound	anticonvulsant; neuroprotective agent; NMDA receptor antagonist
valerenic acid	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component
ici 215001	[no description available]	low	0	0	monocarboxylic acid
beraprost	[no description available]	low	0	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
gemifloxacin	[no description available]	low	0	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
gw 501516	[no description available]	low	0	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
brl 37344	[no description available]	low	0	0	monocarboxylic acid
cp533536	[no description available]	low	0	0	monocarboxylic acid
mre 269	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent
gw0742	[no description available]	low	0	0	monocarboxylic acid
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite
carmine	[no description available]	low	0	0	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
ki16425	[no description available]	low	0	0	carbamate ester; isoxazoles; monocarboxylic acid; monochlorobenzenes; organic sulfide
myrsinoic acid b	[no description available]	low	0	0	1-benzofurans; monocarboxylic acid	anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite
triptohypol C	[no description available]	low	0	0	benzenediols; monocarboxylic acid; pentacyclic triterpenoid	apoptosis inducer; plant metabolite
artemisic acid	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	metabolite
tafamidis	[no description available]	low	0	0	1,3-benzoxazoles; dichlorobenzene; monocarboxylic acid	central nervous system drug
dihydroartemisinic acid	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	plant metabolite
finafloxacin	[no description available]	low	0	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
pyrostatin a	[no description available]	low	0	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; iminium betaine; monocarboxylic acid; secondary alcohol
roburic acid	[no description available]	low	0	0	monocarboxylic acid; olefinic compound; tetracyclic triterpenoid	plant metabolite
imidazoleacetic acid ribotide	[no description available]	low	0	0	imidazoles; monocarboxylic acid; N-glycosyl compound; ribose monophosphate
vanchrobactin	[no description available]	low	0	0	catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol	bacterial metabolite; marine metabolite; siderophore
spongia-13(16),14-dien-19-oic acid	[no description available]	low	0	0	cyclic ether; monocarboxylic acid; tetracyclic diterpenoid	androgen antagonist; metabolite
cathestatin b	[no description available]	low	0	0	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite
borrelidin	[no description available]	low	0	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
germacra-1(10),4,11(13)-trien-12-oic acid	[no description available]	low	0	0	germacrane sesquiterpenoid; monocarboxylic acid
ascr#5	[no description available]	low	0	0	monocarboxylic acid; omega-hydroxy fatty acid ascaroside	Caenorhabditis elegans metabolite; pheromone
tropodithietic acid	[no description available]	low	0	0	cyclic ketone; monocarboxylic acid; organic disulfide; organic heterobicyclic compound; organosulfur heterocyclic compound	antibacterial agent; bacterial metabolite; marine metabolite; signalling molecule; toxin
fumimycin	[no description available]	low	0	0	1-benzofurans; dicarboxylic acid monoamide; gamma-lactone; monocarboxylic acid; polyphenol	antibacterial agent; Aspergillus metabolite; EC 3.5.1.88 (peptide deformylase) inhibitor
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist
lesinurad	[no description available]	low	0	0	aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles	uricosuric drug
saroglitazar	[no description available]	low	0	0	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist
gsk2879552	[no description available]	low	0	0	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
cyclopentanone	[no description available]	low	0	0	cyclopentanones	Maillard reaction product
3-methylcyclopentanone	[no description available]	low	0	0	cyclopentanones
tuberonic acid	[no description available]	low	0	0	cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol	jasmonates; plant metabolite

Article	Year
Safety and efficacy of long-term esomeprazole 20 mg in Japanese patients with a history of peptic ulcer receiving daily non-steroidal anti-inflammatory drugs. BMC gastroenterology, Mar-26, Volume: 13	2013
Comparison of gastroduodenal ulcer incidence in healthy Japanese subjects taking celecoxib or loxoprofen evaluated by endoscopy: a placebo-controlled, double-blind 2-week study. Alimentary pharmacology & therapeutics, Volume: 37, Issue: 3	2013
Syncope caused by nonsteroidal anti-inflammatory drugs and angiotensin-converting enzyme inhibitors. Japanese circulation journal, Volume: 63, Issue: 12	1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Development of a Physiologically Relevant Population Pharmacokinetic in Vitro-in Vivo Correlation Approach for Designing Extended-Release Oral Dosage Formulation. Molecular pharmaceutics, 01-03, Volume: 14, Issue: 1	2017
Pharmacokinetics of loxoprofen and its active metabolite after dermal application of loxoprofen gel to rats. Die Pharmazie, Volume: 70, Issue: 2	2015
Dermatopharmacokinetic bioequivalence study of two types of topical patches containing loxoprofen sodium. International journal of clinical pharmacology and therapeutics, Volume: 52, Issue: 10	2014
Comparison of pharmacokinetics between loxoprofen and its derivative with lower ulcerogenic activity, fluoro-loxoprofen. Drug metabolism and pharmacokinetics, Volume: 28, Issue: 2	2013
Pharmacokinetics and bioequivalence study of two brands of loxoprofen tablets in healthy volunteers. Arzneimittel-Forschung, Volume: 57, Issue: 8	2007
Direct and simultaneous analysis of loxoprofen and its diastereometric alcohol metabolites in human serum by on-line column switching liquid chromatography and its application to a pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, May-01, Volume: 835, Issue: 1-2	2006
Comparison of pharmacokinetics of loxoprofen and its active metabolites after an intravenous, intramuscular, and oral administration of loxoprofen in rats: evidence for extrahepatic metabolism. Journal of pharmaceutical sciences, Volume: 94, Issue: 10	2005
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Development of omega-3 loxoprofen-loaded nanoemulsion to limit the side effect associated with NSAIDs in treatment of tooth pain. Drug delivery, Volume: 28, Issue: 1	2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Development of a Physiologically Relevant Population Pharmacokinetic in Vitro-in Vivo Correlation Approach for Designing Extended-Release Oral Dosage Formulation. Molecular pharmaceutics, 01-03, Volume: 14, Issue: 1	2017
Simultaneous determination of loxoprofen and its diastereomeric alcohol metabolites in human plasma and urine by a simple HPLC-UV detection method. Journal of pharmaceutical and biomedical analysis, Volume: 25, Issue: 3-4	2001
Decreased oral bioavailability of loxoprofen at second administration in human subjects. International journal of clinical pharmacology and therapeutics, Volume: 38, Issue: 1	2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A Comparison of Analgesic Effect between Loxoprofen and Celecoxib and the Frequency of the Hemorrhage Following Tonsillectomy. Nihon Jibiinkoka Gakkai kaiho, Volume: 119, Issue: 8	2016
Development of a Physiologically Relevant Population Pharmacokinetic in Vitro-in Vivo Correlation Approach for Designing Extended-Release Oral Dosage Formulation. Molecular pharmaceutics, 01-03, Volume: 14, Issue: 1	2017
Study on the mechanism of photosensitive dermatitis caused by ketoprofen in the guinea pig. Archives of toxicology, Volume: 80, Issue: 7	2006
Comparison of pharmacokinetics of loxoprofen and its active metabolites after an intravenous, intramuscular, and oral administration of loxoprofen in rats: evidence for extrahepatic metabolism. Journal of pharmaceutical sciences, Volume: 94, Issue: 10	2005
Decreased oral bioavailability of loxoprofen at second administration in human subjects. International journal of clinical pharmacology and therapeutics, Volume: 38, Issue: 1	2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Efficacy and safety of flurbiprofen cataplasms versus loxoprofen sodium cataplasms in knee osteoarthritis: a randomized controlled trial. Chinese medical journal, Sep-20, Volume: 136, Issue: 18	2023
Embryo-fetal developmental toxicity and toxicokinetics of loxoprofen tromethamine intravenously administered to pregnant rats. Birth defects research, Jan-15, Volume: 115, Issue: 2	2023
Does immunosuppressive property of non-steroidal anti-inflammatory drugs (NSAIDs) reduce COVID-19 vaccine-induced systemic side effects? Drug discoveries & therapeutics, Nov-21, Volume: 15, Issue: 5	2021
Development of omega-3 loxoprofen-loaded nanoemulsion to limit the side effect associated with NSAIDs in treatment of tooth pain. Drug delivery, Volume: 28, Issue: 1	2021
Efficacy and safety of loxoprofen sodium topical patch for the treatment of pain in patients with minor acute traumatic limb injuries in Brazil: a randomized, double-blind, noninferiority trial. Pain, Volume: 160, Issue: 7	2019
Efficacy and Safety of Loxoprofen Hydrogel Transdermal Patch Versus Loxoprofen Tablet in Chinese Patients with Myalgia: A Double-Blind, Double-Dummy, Parallel-Group, Randomized, Controlled, Non-Inferiority Trial. Clinical drug investigation, Volume: 39, Issue: 4	2019
Comparative safety of NSAIDs for gastrointestinal events in Asia-Pacific populations: A multi-database, international cohort study. Pharmacoepidemiology and drug safety, Volume: 27, Issue: 11	2018
Predictive Factors for NSAIDs-related Gastrointestinal Toxicity: Can COX-2 Selective Inhibtor Prevent it?. Hepato-gastroenterology, Volume: 62, Issue: 140	2015
Efficacy and safety of loxoprofen hydrogel patch versus loxoprofen tablet in patients with knee osteoarthritis: a randomized controlled non-inferiority trial. Clinical rheumatology, Volume: 35, Issue: 1	2016
Safety and efficacy of skin patches containing loxoprofen sodium in diabetic patients with overt nephropathy. Clinical and experimental nephrology, Volume: 18, Issue: 3	2014
Safety and efficacy of long-term esomeprazole 20 mg in Japanese patients with a history of peptic ulcer receiving daily non-steroidal anti-inflammatory drugs. BMC gastroenterology, Mar-26, Volume: 13	2013
Low direct cytotoxicity of loxoprofen on gastric mucosal cells. Biological & pharmaceutical bulletin, Volume: 33, Issue: 3	2010
Efficacy and safety of rabeprazole in non-steroidal anti-inflammatory drug-induced ulcer in Japan. World journal of gastroenterology, Oct-28, Volume: 15, Issue: 40	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
The inhibiting effect of glucosamine sulfate combined with loxoprofen sodium on chondrocyte apoptosis in rats with knee osteoarthritis. Journal of musculoskeletal & neuronal interactions, 03-01, Volume: 21, Issue: 1	2021
[Therapeutic effect and mechanism of silver needle heat conduction therapy combined with loxoprofen sodium patch in patients with knee osteoarthritis]. Zhen ci yan jiu = Acupuncture research, Jan-25, Volume: 46, Issue: 1	2021
The effect of ion-pair formation combined with penetration enhancers on the skin permeation of loxoprofen. Drug delivery, Volume: 23, Issue: 5	2016
Acute kidney injury during concomitant use of valacyclovir and loxoprofen: detecting drug-drug interactions in a spontaneous reporting system. Pharmacoepidemiology and drug safety, Volume: 23, Issue: 11	2014
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

loxoprofen

Description

Cross-References

Synonyms (78)

Research Excerpts

Overview

Roles (5)

Drug Classes (2)

Protein Targets (15)

Potency Measurements

Inhibition Measurements

Biological Processes (60)

Molecular Functions (8)

Ceullar Components (13)